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PDB: 98 件
4HRA
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Crystal Structure of DOT1L in Complex with EPZ-5676
分子名称: 5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Jin, L.
登録日2012-10-26
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Potent inhibition of DOT1L as treatment of MLL-fusion leukemia.
Blood, 122, 2013
1XXD
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BU of 1xxd by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin
分子名称: Coagulation factor XI, Ecotin
著者Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2004-11-04
公開日2004-11-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1XX9
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Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, Ecotin
著者Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2004-11-04
公開日2004-11-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1XXF
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BU of 1xxf by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP)
分子名称: Coagulation factor XI, Ecotin, SODIUM ION
著者Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2004-11-04
公開日2004-11-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1ZHR
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BU of 1zhr by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant)
分子名称: BENZAMIDINE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1ZHP
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BU of 1zhp by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant)
分子名称: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1ZHM
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BU of 1zhm by Molmil
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant)
分子名称: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
3GLT
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BU of 3glt by Molmil
Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine
分子名称: Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ...
著者Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
登録日2009-03-12
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLR
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Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide
分子名称: Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ...
著者Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
登録日2009-03-12
公開日2009-06-16
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLU
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BU of 3glu by Molmil
Crystal Structure of Human SIRT3 with AceCS2 peptide
分子名称: Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ...
著者Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
登録日2009-03-12
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
5KVT
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BU of 5kvt by Molmil
THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB
分子名称: Entrectinib, GLYCEROL, High affinity nerve growth factor receptor
著者Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M.
登録日2016-07-15
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials
To Be Published
1EIA
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BU of 1eia by Molmil
X-RAY CRYSTAL STRUCTURE OF EQUINE INFECTIOUS ANEMIA VIRUS (EIAV) CAPSID PROTEIN P26
分子名称: EIAV CAPSID PROTEIN P26
著者Jin, Z, Jin, L, Peterson, D.L, Lawson, C.L.
登録日1998-07-15
公開日1999-02-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Model for lentivirus capsid core assembly based on crystal dimers of EIAV p26.
J.Mol.Biol., 286, 1999
1BR8
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BU of 1br8 by Molmil
IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN
分子名称: PROTEIN (ANTITHROMBIN-III), PROTEIN (PEPTIDE)
著者Skinner, R, Chang, W.S.W, Jin, L, Pei, X.Y, Huntington, J.A, Abrahams, J.P, Carrell, R.W, Lomas, D.A.
登録日1998-08-26
公開日1998-09-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Implications for function and therapy of a 2.9 A structure of binary-complexed antithrombin.
J.Mol.Biol., 283, 1998
2EIA
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BU of 2eia by Molmil
X-RAY CRYSTAL STRUCTURE OF EQUINE INFECTIOUS ANEMIA VIRUS (EIAV) CAPSID PROTEIN P26
分子名称: EIAV CAPSID PROTEIN P26
著者Jin, Z, Jin, L, Peterson, D.L, Lawson, C.L.
登録日1998-07-15
公開日1998-12-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Model for lentivirus capsid core assembly based on crystal dimers of EIAV p26.
J.Mol.Biol., 286, 1999
1AKM
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BU of 1akm by Molmil
ORNITHINE TRANSCARBAMYLASE FROM ESCHERICHIA COLI
分子名称: ORNITHINE TRANSCARBAMYLASE
著者Head, J.F, Seaton, B, Jin, L.
登録日1997-05-23
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure at 2.8 A resolution of anabolic ornithine transcarbamylase from Escherichia coli.
Nat.Struct.Biol., 4, 1997
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
分子名称: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-29
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
6VEI
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BU of 6vei by Molmil
Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VFZ
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Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.
分子名称: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VG0
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CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
4LO8
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BU of 4lo8 by Molmil
HA70(D3)-HA17
分子名称: HA-17, HA-70
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO7
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BU of 4lo7 by Molmil
HA70(D3)-HA17-HA33
分子名称: HA-17, HA-33, HA-70
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.73 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO6
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HA70-alpha2,6-SiaLC
分子名称: CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO3
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HA17-HA33-LacNac
分子名称: HA-17, HA-33, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO0
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Apo HA17-HA33
分子名称: HA-17, HA-33
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO2
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HA17-HA33-Lac
分子名称: HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013

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