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PDB: 106 件
8TBT
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Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ...
著者Jin, L, Padyana, A.
登録日2023-06-29
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
8TBU
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Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ...
著者Jin, L, Padyana, A.
登録日2023-06-29
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
8TBS
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Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ...
著者Jin, L, Padyana, A.
登録日2023-06-29
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
1F1B
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CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE R-STATE IN THE PRESENCE OF N-PHOSPHONACETYL-L-ASPARTATE
分子名称: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
著者Jin, L, Stec, B, Kantrowitz, E.R.
登録日2000-05-18
公開日2000-11-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A cis-proline to alanine mutant of E. coli aspartate transcarbamoylase: kinetic studies and three-dimensional crystal structures.
Biochemistry, 39, 2000
7RWH
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
分子名称: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RWG
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"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
分子名称: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW7
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
分子名称: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW5
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1
分子名称: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
1U59
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Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine
分子名称: STAUROSPORINE, Tyrosine-protein kinase ZAP-70
著者Jin, L, Pluskey, S, Petrella, E.C, Cantin, S.M, Gorga, J.C, Rynkiewicz, M.J, Pandey, P, Strickler, J.E, Babine, R.E, Weaver, D.T, Seidl, K.J.
登録日2004-07-27
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Three-dimensional Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine: IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS
J.Biol.Chem., 279, 2004
2FDA
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BU of 2fda by Molmil
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
分子名称: BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ...
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-12-13
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
3CMO
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BU of 3cmo by Molmil
HIV neutralizing monoclonal antibody YZ18
分子名称: Fab heavy chain, Fab light chain
著者Jin, L, Prasad, V, Paul, S.
登録日2008-03-24
公開日2008-08-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HIV neutralizing monoclonal antibody YZ18
TO BE PUBLISHED
3CLE
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BU of 3cle by Molmil
HIV neutralizing monoclonal antibody YZ23
分子名称: Fab heavy chain, Fab light chain
著者Jin, L, Paul, S, Symersky, J.
登録日2008-03-18
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献HIV neutralizing monoclonal antibody YZ23
To be Published
1ET1
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BU of 1et1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION
分子名称: PARATHYROID HORMONE, SODIUM ION
著者Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F.
登録日2000-04-12
公開日2000-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution.
J.Biol.Chem., 275, 2000
1AZX
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ANTITHROMBIN/PENTASACCHARIDE COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ANTITHROMBIN
著者Jin, L, Abrahams, J.P, Skinner, R, Petitou, M, Pike, R.N, Carrell, R.W.
登録日1997-11-23
公開日1999-01-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The anticoagulant activation of antithrombin by heparin.
Proc.Natl.Acad.Sci.USA, 94, 1997
1D09
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ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA)
分子名称: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
著者Jin, L, Stec, B, Lipscomb, W.N, Kantrowitz, E.R.
登録日1999-09-09
公開日2000-01-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanisms of catalysis and heterotropic regulation of Escherichia coli aspartate transcarbamoylase based upon a structure of the enzyme complexed with the bisubstrate analogue N-phosphonacetyl-L-aspartate at 2.1 A.
Proteins, 37, 1999
1EZZ
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CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE
分子名称: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ZINC ION
著者Jin, L, Stec, B, Kantrowitz, E.R.
登録日2000-05-12
公開日2000-11-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A cis-proline to alanine mutant of E. coli aspartate transcarbamoylase: kinetic studies and three-dimensional crystal structures.
Biochemistry, 39, 2000
1PZU
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An asymmetric NFAT1-RHR homodimer on a pseudo-palindromic, Kappa-B site
分子名称: 5'-D(*AP*AP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*C)-3', 5'-D(*TP*TP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*A)-3', Nuclear factor of activated T-cells, ...
著者Jin, L, Sliz, P, Chen, L, Macian, F, Rao, A, Hogan, P.G, Harrison, S.C.
登録日2003-07-14
公開日2003-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献An asymmetric NFAT1 dimer on a pseudo-palindromic KB-like DNA site
Nat.Struct.Biol., 10, 2003
1ZJD
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Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease Inhibitor Domain of Protease Nexin II
分子名称: Catalytic Domain of Coagulation Factor XI, Kunitz Protease Inhibitory Domain of Protease Nexin II
著者Jin, L, Navaneetham, D, Pandey, P, Strickler, J.E, Babine, R.E, Walsh, P.N, Abdel-Meguid, S.S.
登録日2005-04-28
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Mutational Analyses of the Molecular Interactions between the Catalytic Domain of Factor XIa and the Kunitz Protease Inhibitor Domain of Protease Nexin 2
J.Biol.Chem., 280, 2005
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2024-10-09
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
3GLT
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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2024-10-16
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
3GLU
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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
3GLS
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Crystal Structure of Human SIRT3
分子名称: NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE 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2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
4EK9
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Crystal structure of DOT1L in complex with EPZ000004
分子名称: 5'-deoxy-5'-(dimethylamino)adenosine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Jin, L.
登録日2012-04-09
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Chem.Biol.Drug Des., 80, 2012
4EKG
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Crystal Structure of DOT1L in Complex with EPZ003696
分子名称: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific
著者Jin, L.
登録日2012-04-09
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Chem.Biol.Drug Des., 80, 2012
4EKI
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Crystal Structure of DOT1L in complex with EPZ004777
分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Jin, L.
登録日2012-04-09
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Chem.Biol.Drug Des., 80, 2012

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