3FS6
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![BU of 3fs6 by Molmil](/molmil-images/mine/3fs6) | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | Deposit date: | 2009-01-09 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes. Biochemistry, 48, 2009
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1GIR
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![BU of 1gir by Molmil](/molmil-images/mine/1gir) | CRYSTAL STRUCTURE OF THE ENZYMATIC COMPONET OF IOTA-TOXIN FROM CLOSTRIDIUM PERFRINGENS WITH NADPH | Descriptor: | IOTA TOXIN COMPONENT IA, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Tsuge, H, Nagahama, M, Nishimura, H, Hisatsune, J, Sakaguchi, Y, Itogawa, Y, Katunuma, N, Sakurai, J. | Deposit date: | 2001-03-12 | Release date: | 2003-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Site-directed Mutagenesis of Enzymatic Components from Clostridium perfringens Iota-toxin J.MOL.BIOL., 325, 2003
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5AFO
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3CYR
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![BU of 3cyr by Molmil](/molmil-images/mine/3cyr) | CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774P | Descriptor: | CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Simoes, P, Matias, P.M, Morais, J, Wilson, K, Dauter, Z, Carrondo, M.A. | Deposit date: | 1997-07-24 | Release date: | 1998-01-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Refinement of the Three-Dimensional Structures of Cytochrome C3 from Desulfovibrio Vulgaris Hildenborough at 1.67 Angstroms Resolution and from Desulfovibrio Desulfuricans Atcc 27774 at 1.6 Angstroms Resolution Inorg.Chim.Acta., 273, 1998
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2X4Z
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![BU of 2x4z by Molmil](/molmil-images/mine/2x4z) | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | Descriptor: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | Deposit date: | 2010-02-03 | Release date: | 2010-05-19 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth. Proc.Natl.Acad.Sci.USA, 107, 2010
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3F8Z
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![BU of 3f8z by Molmil](/molmil-images/mine/3f8z) | Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | Deposit date: | 2008-11-13 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes. Biochemistry, 48, 2009
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3F91
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![BU of 3f91 by Molmil](/molmil-images/mine/3f91) | Structural Data for Human Active Site Mutant Enzyme Complexes | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | Deposit date: | 2008-11-13 | Release date: | 2009-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes. Biochemistry, 48, 2009
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3F8Y
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![BU of 3f8y by Molmil](/molmil-images/mine/3f8y) | Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | Deposit date: | 2008-11-13 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes. Biochemistry, 48, 2009
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4APP
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![BU of 4app by Molmil](/molmil-images/mine/4app) | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | Descriptor: | GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. | Deposit date: | 2012-04-04 | Release date: | 2012-06-06 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors. J.Med.Chem., 55, 2012
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3VI2
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![BU of 3vi2 by Molmil](/molmil-images/mine/3vi2) | Crystal Structure Analysis of Plasmodium falciparum OMP Decarboxylase in complex with inhibitor HMOA | Descriptor: | 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid, Orotidine 5'-phosphate decarboxylase, SODIUM ION | Authors: | Takashima, Y, Mizohata, E, Krungkrai, S.R, Matsumura, H, Krungkrai, J, Horii, T, Inoue, T. | Deposit date: | 2011-09-16 | Release date: | 2012-08-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The in silico screening and X-ray structure analysis of the inhibitor complex of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase J.Biochem., 152, 2012
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3S3V
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![BU of 3s3v by Molmil](/molmil-images/mine/3s3v) | human dihydrofolate reductase Q35K/N64F double mutant binary complex with trimethoprim | Descriptor: | Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM | Authors: | Cody, V, Pace, J, Piraino, J, Queener, S.F. | Deposit date: | 2011-05-18 | Release date: | 2011-09-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystallographic analysis reveals a novel second binding site for trimethoprim in active site double mutants of human dihydrofolate reductase. J.Struct.Biol., 176, 2011
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2UYR
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![BU of 2uyr by Molmil](/molmil-images/mine/2uyr) | |
3BUZ
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![BU of 3buz by Molmil](/molmil-images/mine/3buz) | Crystal structure of ia-bTAD-actin complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Tsuge, H, Nagahama, M, Oda, M, Iwamoto, S, Utsunomiya, H, Marquez, V.E, Katunuma, N, Nishizawa, M, Sakurai, J. | Deposit date: | 2008-01-04 | Release date: | 2008-05-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural basis of actin recognition and arginine ADP-ribosylation by Clostridium perfringens iota-toxin Proc.Natl.Acad.Sci.Usa, 105, 2008
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2CTH
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![BU of 2cth by Molmil](/molmil-images/mine/2cth) | CYTOCHROME C3 FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH | Descriptor: | CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Simoes, P, Matias, P.M, Morais, J, Wilson, K, Dauter, Z, Carrondo, M.A. | Deposit date: | 1997-06-18 | Release date: | 1997-12-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Refinement of the Three-Dimensional Structures of Cytochromes C3 from Desulfovibrio Vulgaris Hildenborough at 1.67 Angstrom Resolution and from Desulfovibrio Desulfuricans Atcc 27774 at 1.6 Angstrom Resolution Inorg.Chim.Acta., 273, 1998
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1XMA
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![BU of 1xma by Molmil](/molmil-images/mine/1xma) | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | Authors: | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-10-01 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 To be published
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1GIQ
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![BU of 1giq by Molmil](/molmil-images/mine/1giq) | Crystal Structure of the Enzymatic Componet of Iota-Toxin from Clostridium Perfringens with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, IOTA TOXIN COMPONENT IA | Authors: | Tsuge, H, Nagahama, M, Nishimura, H, Hisatsune, J, Sakaguchi, Y, Itogawa, Y, Katunuma, N, Sakurai, J. | Deposit date: | 2001-03-12 | Release date: | 2003-01-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Site-directed Mutagenesis of Enzymatic Components from Clostridium perfringens Iota-toxin J.MOL.BIOL., 325, 2003
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1YB3
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![BU of 1yb3 by Molmil](/molmil-images/mine/1yb3) | Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus | Descriptor: | UNKNOWN ATOM OR ION, hypothetical protein | Authors: | Habel, J, Zhou, W, Chang, J, Zhao, M, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-19 | Release date: | 2005-02-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus To be published
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1YD7
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![BU of 1yd7 by Molmil](/molmil-images/mine/1yd7) | Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus | Descriptor: | 2-keto acid:ferredoxin oxidoreductase subunit alpha, UNKNOWN ATOM OR ION | Authors: | Horanyi, P, Florence, Q, Zhou, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-23 | Release date: | 2005-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus To be published
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1YCY
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![BU of 1ycy by Molmil](/molmil-images/mine/1ycy) | Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus | Descriptor: | Conserved hypothetical protein | Authors: | Huang, L, Liu, Z.-J, Lee, D, Tempel, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-23 | Release date: | 2005-02-22 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus To be published
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1Y81
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![BU of 1y81 by Molmil](/molmil-images/mine/1y81) | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus | Descriptor: | COENZYME A, THIOCYANATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Zhao, M, Chang, J, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-10 | Release date: | 2005-01-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus To be published
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1E3D
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![BU of 1e3d by Molmil](/molmil-images/mine/1e3d) | [NiFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 27774 | Descriptor: | (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II), FE3-S4 CLUSTER, ... | Authors: | Matias, P.M, Soares, C.M, Saraiva, L.M, Coelho, R, Morais, J, Le Gall, J, Carrondo, M.A. | Deposit date: | 2000-06-14 | Release date: | 2001-06-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | [Nife] Hydrogenase from Desulfovibrio Desulfuricans Atcc 27774: Gene Sequencing, Three-Dimensional Structure Determination and Refinement at 1.8 A and Modelling Studies of its Interaction with the Tetrahaem Cytochrome C3. J.Biol.Inorg.Chem., 6, 2001
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1YBZ
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![BU of 1ybz by Molmil](/molmil-images/mine/1ybz) | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 | Descriptor: | UNKNOWN ATOM OR ION, chorismate mutase | Authors: | Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-21 | Release date: | 2005-02-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 To be published
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1Y82
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![BU of 1y82 by Molmil](/molmil-images/mine/1y82) | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus | Descriptor: | UNKNOWN ATOM OR ION, hypothetical protein | Authors: | Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-10 | Release date: | 2005-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus To be published
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2DDT
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![BU of 2ddt by Molmil](/molmil-images/mine/2ddt) | Crystal structure of sphingomyelinase from Bacillus cereus with magnesium ion | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ago, H, Oda, M, Tsuge, H, Katunuma, N, Miyano, M, Sakurai, J, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-02 | Release date: | 2006-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the sphingomyelin phosphodiesterase activity in neutral sphingomyelinase from Bacillus cereus. J.Biol.Chem., 281, 2006
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2DDS
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![BU of 2dds by Molmil](/molmil-images/mine/2dds) | Crystal structure of sphingomyelinase from Bacillus cereus with cobalt ion | Descriptor: | COBALT (II) ION, Sphingomyelin phosphodiesterase | Authors: | Ago, H, Oda, M, Takahashi, M, Tsuge, H, Ochi, S, Katunuma, N, Miyano, M, Sakurai, J, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-02 | Release date: | 2006-05-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of the Sphingomyelin Phosphodiesterase Activity in Neutral Sphingomyelinase from Bacillus cereus. J.Biol.Chem., 281, 2006
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