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7YSQ
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BU of 7ysq by Molmil
GTPgammaS Tube decorated with kinesin
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ...
著者Zhou, J, Wang, H.-W.
登録日2022-08-12
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
7YSN
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BU of 7ysn by Molmil
Tubulin heterodimer structure of GMPCPP state in solution
分子名称: GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tubulin alpha-1B chain, ...
著者Zhou, J, Wang, H.-W.
登録日2022-08-12
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
7YSP
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BU of 7ysp by Molmil
Tubulin heterodimer structure of GDP-2 state in solution
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-1B chain, ...
著者Zhou, J, Wang, H.-W.
登録日2022-08-12
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
5F94
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BU of 5f94 by Molmil
Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
分子名称: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
登録日2015-12-09
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
5G2O
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BU of 5g2o by Molmil
Yersinia pestis FabV variant T276A
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-11
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
5JAI
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BU of 5jai by Molmil
Yersinia pestis FabV variant T276G
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
5JAM
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BU of 5jam by Molmil
Yersinia pestis FabV variant T276V
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
8OY2
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BU of 8oy2 by Molmil
Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260
分子名称: (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione, Cyclin-dependent kinase 2, GLYCEROL
著者Kordes, S, Harvey, C.J.B.
登録日2023-05-03
公開日2023-11-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.618 Å)
主引用文献Resistance gene-guided genome mining reveals the roseopurpurins as inhibitors of cyclin-dependent kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T04
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BU of 8t04 by Molmil
Structure of mouse Myomaker bound to Fab18G7 in nanodiscs
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 18G7 Fab heavy chain, 18G7 Fab light chain, ...
著者Long, T, Li, X.
登録日2023-05-31
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T06
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BU of 8t06 by Molmil
Structure of mouse Myomaker mutant-R107A bound to Fab18G7
分子名称: 18G7 Fab heavy chain, 18G7 Fab light chain, Protein myomaker, ...
著者Long, T, Li, X.
登録日2023-05-31
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T07
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BU of 8t07 by Molmil
Structure of mouse Myomaker mutant-Y118A bound to Fab18G7
分子名称: 18G7 Fab heavy chain, 18G7 Fab light chain, Protein myomaker, ...
著者Long, T, Li, X.
登録日2023-05-31
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T05
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BU of 8t05 by Molmil
Structure of Ciona Myomaker bound to Fab1A1
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1A1 Fab heavy chain, 1A1 Fab light chain, ...
著者Long, T, Li, X.
登録日2023-05-31
公開日2023-09-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T03
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BU of 8t03 by Molmil
Structure of mouse Myomaker bound to Fab18G7 in detergent
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 18G7 Fab heavy chain, 18G7 Fab light chain, ...
著者Long, T, Li, X.
登録日2023-05-31
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T3P
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BU of 8t3p by Molmil
Crystal structure of MonC1 (a flavin-dependent monooxygenase)
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MonCI
著者Wang, Q, Mathews, I.I, Kim, C.Y.
登録日2023-06-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triepoxide formation by a flavin-dependent monooxygenase in monensin biosynthesis.
Nat Commun, 14, 2023
5F95
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BU of 5f95 by Molmil
Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
分子名称: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
登録日2015-12-09
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.525 Å)
主引用文献Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
4BKU
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BU of 4bku by Molmil
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
著者Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
3HHK
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BU of 3hhk by Molmil
HCV NS5b polymerase complex with a substituted benzothiadizine
分子名称: 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase
著者Concha, N.O, Singh, O.
登録日2009-05-15
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3ZU4
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BU of 3zu4 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT172
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ...
著者Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C.
登録日2011-07-13
公開日2012-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
3ZU3
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BU of 3zu3 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (MR, cleaved Histag)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ...
著者Hirschbeck, M.W, Kuper, J, Kisker, C.
登録日2011-07-13
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
3ZU5
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BU of 3zu5 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT173
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ...
著者Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C.
登録日2011-07-13
公開日2012-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
3ZU2
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BU of 3zu2 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, SODIUM ION
著者Hirschbeck, M.W, Kuper, J, Kisker, C.
登録日2011-07-13
公開日2012-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
2FVC
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BU of 2fvc by Molmil
Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone
分子名称: 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein
著者Concha, N.O, Wonacott, A, Singh, O.
登録日2006-01-30
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.
J.Med.Chem., 49, 2006
4BKQ
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BU of 4bkq by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519
著者Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
4BKO
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BU of 4bko by Molmil
Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ...
著者Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv
To be Published
4BKR
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BU of 4bkr by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016

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