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6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
分子名称: Capsid premembrane protein, GLYCEROL, NITRATE ION
著者White, M, Xia, H, Shi, P.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
4BNE
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BU of 4bne by Molmil
Pacsin2 Interacts with Membranes and Actin-Filaments
分子名称: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL
著者Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K.
登録日2013-05-15
公開日2014-05-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2.
Embo Rep., 15, 2014
5MG3
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BU of 5mg3 by Molmil
EM fitted model of bacterial holo-translocon
分子名称: Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ...
著者Schaffitzel, C, Botte, M.
登録日2016-11-20
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion.
Sci Rep, 6, 2016
5M4S
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BU of 5m4s by Molmil
Transcription factor TFIIA as a single chain protein
分子名称: Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1
著者Kandiah, E, Gupta, K.
登録日2016-10-19
公開日2017-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID.
Elife, 6, 2017
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
8K4F
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BU of 8k4f by Molmil
DHODH in complex with compound A0
分子名称: 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ...
著者Jian, L, Sun, Q.
登録日2023-07-18
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
3B8I
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BU of 3b8i by Molmil
Crystal Structure of Oxaloacetate Decarboxylase from Pseudomonas Aeruginosa (PA4872) in complex with oxalate and Mg2+.
分子名称: GLYCEROL, MAGNESIUM ION, OXALATE ION, ...
著者Narayanan, B.C, Herzberg, O.
登録日2007-11-01
公開日2008-01-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of PA4872 from Pseudomonas aeruginosa, a novel class of oxaloacetate decarboxylase from the PEP mutase/isocitrate lyase superfamily.
Biochemistry, 47, 2008
2DQ5
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BU of 2dq5 by Molmil
solution structure of the Mid1 B Box2 Chc(D/C)C2H2 Zinc-Binding Domain: insights into an evolutionary conserved ring fold
分子名称: Midline-1, ZINC ION
著者Massiah, M.A, Matts, J.A.B, Short, K.M, Simmons, B.N, Singireddy, S, Zou, J, Cox, T.C.
登録日2006-05-20
公開日2007-04-03
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of the MID1 B-box2 CHC(D/C)C(2)H(2) Zinc-binding Domain: Insights into an Evolutionarily Conserved RING Fold
J.Mol.Biol., 369, 2007
6AR4
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BU of 6ar4 by Molmil
Crystal structure of PICK1 in complex with the small molecule inhibitor 1o
分子名称: N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein
著者Marcotte, D.
登録日2017-08-21
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction.
Sci Rep, 8, 2018
8UF5
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BU of 8uf5 by Molmil
Catalytic domain of GtfB in complex with inhibitor G43
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Schormann, N, Deivanayagam, C, Velu, S.
登録日2023-10-03
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
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
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
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
分子名称: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7D9M
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BU of 7d9m by Molmil
grass carp interleukin-2
分子名称: Interleukin
著者Junya, w, Jun, z.
登録日2020-10-13
公開日2020-10-28
最終更新日2020-11-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural insights into the co-evolution of IL-2 and its private receptor in fish.
Dev.Comp.Immunol., 115, 2020
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
分子名称: Fab14 heavy chain, Fab14 light chain
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-24
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
著者Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
登録日2022-05-30
公開日2022-09-14
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
3OHI
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BU of 3ohi by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone
分子名称: ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
著者Herzberg, O, Galkin, A.
登録日2010-08-17
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
7FEE
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BU of 7fee by Molmil
Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ...
著者Wang, X, Zhao, C, Shao, Z.
登録日2021-07-19
公開日2022-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7WV9
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BU of 7wv9 by Molmil
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ...
著者Xu, Z, Shao, Z.
登録日2022-02-10
公開日2022-06-15
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7WZ5
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Larimichthys crocea IFNi
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C
著者Chen, J.J.
登録日2022-02-17
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Molecular and Structural Basis of Receptor Binding and Signaling of a Fish Type I IFN with Three Disulfide Bonds.
J Immunol., 209, 2022
7Y4I
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Crystal structure of SPINDLY in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY
著者Xu, S.T, Wan, L.H.
登録日2022-06-14
公開日2022-12-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insights into mechanism and specificity of the plant protein O-fucosyltransferase SPINDLY.
Nat Commun, 13, 2022

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