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3R6Q
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A triclinic-lattice structure of aspartase from Bacillus sp. YM55-1
分子名称: Aspartase, CALCIUM ION
著者Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H.
登録日2011-03-22
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the catalytic mechanism of aspartate ammonia lyase.
Biochemistry, 50, 2011
3R11
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Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex
分子名称: Enzyme of enolase superfamily, FUMARIC ACID, GLYCEROL, ...
著者Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-03-09
公開日2011-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
4Q1I
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BU of 4q1i by Molmil
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
分子名称: GLYCEROL, Polyketide biosynthesis enoyl-CoA isomerase PksI
著者Nair, A.V, Race, P.R, Till, M.
登録日2014-04-03
公開日2015-05-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
3TK9
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Crystal structure of human granzyme H
分子名称: Granzyme H, SULFATE ION
著者Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z.
登録日2011-08-25
公開日2011-12-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
4QLV
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yCP in complex with tripeptidic epoxyketone inhibitor 17
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide, ...
著者de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
登録日2014-06-13
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLS
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yCP in complex with tripeptidic epoxyketone inhibitor 11
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ...
著者De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H.
登録日2014-06-13
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
1NST
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THE SULFOTRANSFERASE DOMAIN OF HUMAN HAPARIN SULFATE N-DEACETYLASE/N-SULFOTRANSFERASE
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, HEPARAN SULFATE N-DEACETYLASE/N-SULFOTRANSFERASE
著者Kakuta, Y, Pedersen, L.C, Negishi, M.
登録日1998-09-07
公開日1999-09-16
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the sulfotransferase domain of human heparan sulfate N-deacetylase/ N-sulfotransferase 1.
J.Biol.Chem., 274, 1999
1ZBB
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BU of 1zbb by Molmil
Structure of the 4_601_167 Tetranucleosome
分子名称: DNA STRAND 1 (ARBITRARY MODEL SEQUENCE), DNA STRAND 2 (ARBITRARY MODEL SEQUENCE), HISTONE H3, ...
著者Schalch, T, Duda, S, Sargent, D.F, Richmond, T.J.
登録日2005-04-08
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (9 Å)
主引用文献X-ray structure of a tetranucleosome and its implications for the chromatin fibre.
Nature, 436, 2005
4QUG
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Caspase-3 M61A
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUL
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Caspase-3 F55W
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
2A1D
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Staphylocoagulase bound to bovine thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, ...
著者Friedrich, R, Panizzi, P, Kawabata, S, Bode, W, Bock, P.E, Fuentes-Prior, P.
登録日2005-06-20
公開日2005-09-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Basis for Reduced Staphylocoagulase-mediated Bovine Prothrombin Activation
J.Biol.Chem., 281, 2006
2A5I
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Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2
分子名称: (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 1,2-ETHANEDIOL, 3C-like peptidase, ...
著者Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
登録日2005-06-30
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
3TJV
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BU of 3tjv by Molmil
Crystal structure of human granzyme H with a peptidyl substrate
分子名称: Granzyme H, PTSYAGDDSG, SULFATE ION
著者Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z.
登録日2011-08-25
公開日2011-12-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
4QU8
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BU of 4qu8 by Molmil
Caspase-3 M61A V266H
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.715 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4RMF
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BU of 4rmf by Molmil
Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target
分子名称: 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID
著者Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K.
登録日2014-10-21
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target.
Plos One, 9, 2014
3R0K
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BU of 3r0k by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate bound, no Mg
分子名称: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
著者Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-03-08
公開日2011-03-30
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
2A5K
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BU of 2a5k by Molmil
Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121
分子名称: (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like peptidase
著者Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
登録日2005-06-30
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
1QJ6
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BU of 1qj6 by Molmil
Novel Covalent Active Site Thrombin Inhibitors
分子名称: 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者Jhoti, H, Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QL7
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
分子名称: CALCIUM ION, SULFATE ION, TRYPSIN, ...
著者Stubbs, M.T.
登録日1999-08-24
公開日2000-08-25
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
3SJI
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crystal structure of CVA16 3C in complex with Rupintrivir (AG7088)
分子名称: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SODIUM ION
著者Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
登録日2011-06-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
1QQU
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CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH BOUND ACETATE ION
分子名称: ACETATE ION, BETA TRYPSIN, CALCIUM ION
著者Johnson, A, Gautham, N, Pattabhi, V.
登録日1999-06-09
公開日2000-06-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure at 1.63 A resolution of the native form of porcine beta-trypsin: revealing an acetate ion binding site and functional water network.
Biochim.Biophys.Acta, 1435, 1999
3R10
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BU of 3r10 by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex
分子名称: Enzyme of enolase superfamily, GLYCEROL, MAGNESIUM ION, ...
著者Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-03-09
公開日2011-04-20
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
1QJ7
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BU of 1qj7 by Molmil
Novel Covalent Active Site Thrombin Inhibitors
分子名称: 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者Jhoti, H, Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
3RO6
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Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg ion
分子名称: GLYCEROL, MAGNESIUM ION, Putative chloromuconate cycloisomerase, ...
著者Lukk, T, Sakai, A, Song, L, Gerlt, J.A, Nair, S.K.
登録日2011-04-25
公開日2011-05-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
1QL9
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT
分子名称: CALCIUM ION, SULFATE ION, TRYPSIN, ...
著者Stubbs, M.T.
登録日1999-08-24
公開日2000-08-25
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-Induced Structural Plasticity
J.Mol.Biol., 325, 2003

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