1Q3B
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![BU of 1q3b by Molmil](/molmil-images/mine/1q3b) | Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The R252A mutant at 2.05 resolution. | Descriptor: | Endonuclease VIII, GLYCEROL, MAGNESIUM ION, ... | Authors: | Golan, G, Zharkov, D.O, Feinberg, H, Fernandes, A.S, Zaika, E.I, Kycia, J.H, Grollman, A.P, Shoham, G. | Deposit date: | 2003-07-29 | Release date: | 2004-08-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the uncomplexed DNA repair enzyme endonuclease VIII indicates significant interdomain flexibility. Nucleic Acids Res., 33, 2005
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1M9J
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![BU of 1m9j by Molmil](/molmil-images/mine/1m9j) | human endothelial nitric oxide synthase with chlorzoxazone bound | Descriptor: | CHLORZOXAZONE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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2XWL
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![BU of 2xwl by Molmil](/molmil-images/mine/2xwl) | Crystal structure of IspD from Mycobacterium smegmatis in complex with CTP and Mg | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Bjorkelid, C, Bergfors, T, Unge, T, Jones, T.A. | Deposit date: | 2010-11-04 | Release date: | 2011-04-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and Functional Studies on Mycobacterial Ispd Enzymes Acta Crystallogr.,Sect.D, 67, 2011
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1MQO
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4OIB
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![BU of 4oib by Molmil](/molmil-images/mine/4oib) | Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group R3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule 5, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M. | Deposit date: | 2014-01-19 | Release date: | 2014-07-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions. Acta Crystallogr.,Sect.D, 70, 2014
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1LVG
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![BU of 1lvg by Molmil](/molmil-images/mine/1lvg) | Crystal structure of mouse guanylate kinase in complex with GMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, ... | Authors: | Sekulic, N, Shuvalova, L, Spangenberg, O, Konrad, M, Lavie, A. | Deposit date: | 2002-05-28 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural characterization of the closed
conformation of mouse guanylate kinase. J.Biol.Chem., 277, 2002
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2KU4
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![BU of 2ku4 by Molmil](/molmil-images/mine/2ku4) | Horse prion protein | Descriptor: | Major prion protein | Authors: | Perez, D.R, Damberger, F.F, Wuthrich, K. | Deposit date: | 2010-02-12 | Release date: | 2010-06-09 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Horse prion protein NMR structure and comparisons with related variants of the mouse prion protein. J.Mol.Biol., 400, 2010
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2Y1E
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![BU of 2y1e by Molmil](/molmil-images/mine/2y1e) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, SULFATE ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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1PX6
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![BU of 1px6 by Molmil](/molmil-images/mine/1px6) | A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to asparagine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Glutathione S-transferase P | Authors: | Kong, G.K.-W, Polekhina, G, McKinstry, W.J, Parker, M.W, Dragani, B, Aceto, A, Paludi, D, Principe, D.R, Mannervik, B, Stenberg, G. | Deposit date: | 2003-07-02 | Release date: | 2003-07-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The multi-functional role of a highly conserved aspartic acid residue in glutathione transferase P1-1 To be Published
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2Y0L
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2Y1D
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![BU of 2y1d by Molmil](/molmil-images/mine/2y1d) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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1PYW
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![BU of 1pyw by Molmil](/molmil-images/mine/1pyw) | Human class II MHC protein HLA-DR1 bound to a designed peptide related to influenza virus hemagglutinin, FVKQNA(MAA)AL, in complex with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2) | Descriptor: | 9-residue influenza virus hemagglutinin related peptide FVKQNA(MAA)AL, Enterotoxin type C-3, HLA class II histocompatibility antigen, ... | Authors: | Zavala-Ruiz, Z, Sundberg, E.J, Stone, J.D, DeOliveira, D.B, Chan, I.C, Svendsen, J, Mariuzza, R.A, Stern, L.J. | Deposit date: | 2003-07-09 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploration of the P6/P7 region of the peptide-binding site of the human class II Major Histocompatability Complex Protein HLA-DR1 J.Biol.Chem., 278, 2003
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1M8E
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![BU of 1m8e by Molmil](/molmil-images/mine/1m8e) | inducible nitric oxide synthase with 7-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1Q3K
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1M9M
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![BU of 1m9m by Molmil](/molmil-images/mine/1m9m) | human endothelial nitric oxide synthase with 6-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M8I
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![BU of 1m8i by Molmil](/molmil-images/mine/1m8i) | inducible nitric oxide synthase with 5-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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4ONK
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![BU of 4onk by Molmil](/molmil-images/mine/4onk) | [Leu-5]-Enkephalin mutant - YVVFL | Descriptor: | [Leu-5]-Enkephalin mutant - YVVFL | Authors: | Sangwan, S, Eisenberg, D, Sawaya, M.R, Do, T.D, Bowers, M.T, Lapointe, N.E, Teplow, D.B, Feinstein, S.C. | Deposit date: | 2014-01-28 | Release date: | 2014-07-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Factors that drive Peptide assembly from native to amyloid structures: experimental and theoretical analysis of [leu-5]-enkephalin mutants. J.Phys.Chem.B, 118, 2014
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2LJR
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![BU of 2ljr by Molmil](/molmil-images/mine/2ljr) | GLUTATHIONE TRANSFERASE APO-FORM FROM HUMAN | Descriptor: | GLUTATHIONE S-TRANSFERASE | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | Deposit date: | 1998-03-08 | Release date: | 1999-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site. Structure, 6, 1998
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2XYE
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![BU of 2xye by Molmil](/molmil-images/mine/2xye) | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | Deposit date: | 2010-11-17 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents Med.Chem.Commun., 2, 2011
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2Y1C
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![BU of 2y1c by Molmil](/molmil-images/mine/2y1c) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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1DKL
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1J2R
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3H5Z
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![BU of 3h5z by Molmil](/molmil-images/mine/3h5z) | Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | Authors: | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-22 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness. Nature, 464, 2010
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2Y3L
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![BU of 2y3l by Molmil](/molmil-images/mine/2y3l) | Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2 | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2010-12-21 | Release date: | 2011-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism. Proc.Natl.Acad.Sci.USA, 108, 2011
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2Y29
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![BU of 2y29 by Molmil](/molmil-images/mine/2y29) | Structure of segment KLVFFA from the amyloid-beta peptide (Ab, residues 16-21), alternate polymorph III | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Colletier, J, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2010-12-14 | Release date: | 2011-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism. Proc.Natl.Acad.Sci.USA, 108, 2011
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