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1XME
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BU of 1xme by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus
分子名称: COPPER (II) ION, Cytochrome c oxidase polypeptide I, Cytochrome c oxidase polypeptide II, ...
著者Hunsicker-Wang, L.M, Pacoma, R.L, Chen, Y, Fee, J.A, Stout, C.D.
登録日2004-10-01
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus.
Acta Crystallogr.,Sect.D, 61, 2005
1XP3
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BU of 1xp3 by Molmil
Crystal Structure of Endonuclease IV (BA4508) from Bacillus anthracis at 2.57A Resolution.
分子名称: SULFATE ION, ZINC ION, endonuclease IV
著者Fogg, M.J, Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2004-10-08
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Crystal Structure of Endonuclease IV (BA4508) from Bacillus anthracis at 2.57A Resolution.
To be Published
1Q99
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Crystal structure of the Saccharomyces cerevisiae SR protein kinsae, Sky1p, complexed with the non-hydrolyzable ATP analogue, AMP-PNP
分子名称: 1,2-ETHANEDIOL, METHANOL, NICKEL (II) ION, ...
著者Nolen, B, Ngo, J, Chakrabarti, S, Vu, D, Adams, J.A, Ghosh, G.
登録日2003-08-22
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Nucleotide-Induced Conformational Changes in the Saccharomyces cerevisiae SR Protein Kinase, Sky1p, Revealed by X-ray Crystallography
Biochemistry, 42, 2003
2X8P
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BU of 2x8p by Molmil
Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization
分子名称: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CHOLINE ION, CHOLINE-BINDING PROTEIN F, ...
著者Silva-Martin, N, Hermoso, J.A.
登録日2010-03-10
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae.
Biochim.Biophys.Acta, 1840, 2013
2WWF
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Plasmodium falciparum thymidylate kinase in complex with TMP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ...
著者Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2009-10-23
公開日2010-04-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
2WWI
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Plasmodium falciparum thymidylate kinase in complex with AZTMP and ADP
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, THYMIDILATE KINASE, ...
著者Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2009-10-23
公開日2010-04-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
1BVY
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COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ...
著者Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L.
登録日1998-09-21
公開日1999-02-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
1ZSP
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BU of 1zsp by Molmil
Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Hearn, A.S, Perry, J.J, Cabelli, D.E, Tainer, J.A, Nick, H.S, Silverman, D.S.
登録日2005-05-24
公開日2006-05-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis.
Biochemistry, 48, 2009
2X89
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BU of 2x89 by Molmil
Structure of the Beta2_microglobulin involved in amyloidogenesis
分子名称: ANTIBODY, BETA-2-MICROGLOBULIN
著者Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J.
登録日2010-03-07
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant.
Proc.Natl.Acad.Sci.USA, 108, 2011
2X8O
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BU of 2x8o by Molmil
Crystal Structure of CbpF in complex with Atropine by soaking
分子名称: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CHOLINE ION, CHOLINE-BINDING PROTEIN F, ...
著者Silva-Martin, N, Hermoso, J.A.
登録日2010-03-10
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of Cbpf in Complex with Atropine by Soaking
To be Published
1CCS
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BU of 1ccs by Molmil
STRUCTURE-ASSISTED REDESIGN OF A PROTEIN-ZINC BINDING SITE WITH FEMTOMOLAR AFFINITY
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1994-12-09
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-assisted redesign of a protein-zinc-binding site with femtomolar affinity.
Proc.Natl.Acad.Sci.USA, 92, 1995
2X9E
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BU of 2x9e by Molmil
HUMAN MPS1 IN COMPLEX WITH NMS-P715
分子名称: DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
著者Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J.
登録日2010-03-17
公開日2010-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
1QVK
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BU of 1qvk by Molmil
Structure of the antimicrobial hexapeptide cyc-(RRWWRF) bound to DPC micelles
分子名称: c-RW
著者Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P.
登録日2003-08-28
公開日2004-09-28
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure of the Antimicrobial, Cationic Hexapeptide Cyclo(RRWWRF) and Its Analogues in Solution and Bound to Detergent Micelles
Chembiochem, 6, 2005
1QVN
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Structure of SP4160 Bound to IL-2 V69A
分子名称: 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE, Interleukin-2, ZINC ION
著者Thanos, C.D, Delano, W.L, Wells, J.A.
登録日2003-08-28
公開日2005-04-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hot-spot mimicry of a cytokine receptor by a small molecule.
Proc.Natl.Acad.Sci.USA, 103, 2006
1ZRB
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BU of 1zrb by Molmil
Thrombin in complex with an azafluorenyl inhibitor 23b
分子名称: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ...
著者Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y.
登録日2005-05-19
公開日2005-06-07
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献9-hydroxyazafluorenes and their use in thrombin inhibitors
J.Med.Chem., 48, 2005
2WS2
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BU of 2ws2 by Molmil
The 2 Angstrom structure of a Nu-class GST from Haemonchus contortus
分子名称: GLUTATHIONE S-TRANSFERASE
著者Line, K, Isupov, M.N, vanRossum, A.J, Brophy, P.M, Littlechild, J.A.
登録日2009-09-03
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The 2 Angstrom Structure of a Nu-Class Gst from Haemonchus Contortus
To be Published
1QGD
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TRANSKETOLASE FROM ESCHERICHIA COLI
分子名称: CALCIUM ION, PROTEIN (TRANSKETOLASE), SULFATE ION, ...
著者Isupov, M.N, Littlechild, J.A.
登録日1999-04-23
公開日2003-06-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Escherichia coli Transketolase
To be Published
4DLM
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BU of 4dlm by Molmil
Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121
分子名称: Amidohydrolase 2, ZINC ION
著者Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-02-06
公開日2012-02-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121
to be published
1ZTE
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Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Suerpoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Hearn, A.S, Perry, J.J, Cabelii, D.E, Tainer, J.A, Nick, H.S, Silverman, D.S.
登録日2005-05-26
公開日2006-05-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis.
Biochemistry, 48, 2009
2X6P
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Crystal Structure of Coil Ser L19C
分子名称: COIL SER L19C, ZINC ION
著者Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
登録日2010-02-18
公開日2010-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides.
J.Am.Chem.Soc., 132, 2010
2WSJ
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Crystal Structure of single point mutant Glu71Ser p-coumaric Acid Decarboxylase
分子名称: BARIUM ION, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
著者Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M.
登録日2009-09-07
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism.
Proteins, 78, 2010
1BKH
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MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA
分子名称: MUCONATE LACTONIZING ENZYME
著者Hasson, M.S, Schlichting, I, Moulai, J, Taylor, K, Barrett, W, Kenyon, G.L, Babbitt, P.C, Gerlt, J.A, Petsko, G.A, Ringe, D.
登録日1998-07-07
公開日1998-10-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of an enzyme active site: the structure of a new crystal form of muconate lactonizing enzyme compared with mandelate racemase and enolase.
Proc.Natl.Acad.Sci.USA, 95, 1998
4DMX
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Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
1ZO4
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Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
著者Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A.
登録日2005-05-12
公開日2006-08-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011

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