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3KVX
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JNK3 bound to aminopyrimidine inhibitor, SR-3562
分子名称: Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline
著者Habel, J.E, Laughlin, J.D, LoGrasso, P.
登録日2009-11-30
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors
J.Med.Chem., 53, 2010
2GJX
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BU of 2gjx by Molmil
Crystallographic structure of human beta-Hexosaminidase A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase alpha chain, ...
著者Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N.G.
登録日2006-03-31
公開日2006-06-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic structure of human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss of GM2 Ganglioside Hydrolysis
J.Mol.Biol., 359, 2006
7MK1
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BU of 7mk1 by Molmil
Structure of a protein-modified aptamer complex
分子名称: Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ...
著者Ren, X, Pyle, A.M.
登録日2021-04-21
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA.
J.Mol.Biol., 433, 2021
3KXF
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BU of 3kxf by Molmil
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
登録日2009-12-03
公開日2010-06-09
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
7JGI
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BU of 7jgi by Molmil
NMR structure of the cNTnC-cTnI chimera bound to A7
分子名称: 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid, CALCIUM ION, Troponin C, ...
著者Cai, F, Robertson, I.M, Kampourakis, T, Klein, B.A, Sykes, B.D.
登録日2020-07-19
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers.
Acs Chem.Biol., 15, 2020
7M7E
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BU of 7m7e by Molmil
6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2
分子名称: 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
3KK8
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CaMKII Substrate Complex A
分子名称: Calcium/calmodulin dependent protein kinase II, MAGNESIUM ION
著者Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H.
登録日2009-11-04
公開日2010-02-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation.
Nat.Struct.Mol.Biol., 17, 2010
7GSB
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BU of 7gsb by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000438a
分子名称: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2OQY
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BU of 2oqy by Molmil
The crystal structure of muconate cycloisomerase from Oceanobacillus iheyensis
分子名称: MAGNESIUM ION, Muconate cycloisomerase
著者Fedorov, A.A, Toro, R, Fedorov, E.V, Bonanno, J, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-02-01
公開日2007-03-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
2OR1
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BU of 2or1 by Molmil
RECOGNITION OF A DNA OPERATOR BY THE REPRESSOR OF PHAGE 434. A VIEW AT HIGH RESOLUTION
分子名称: 434 REPRESSOR, DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*AP*AP*CP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*GP*TP*TP*TP*GP*T P*AP*CP*T)-3')
著者Aggarwal, A.K, Rodgers, D.W, Drottar, M, Ptashne, M, Harrison, S.C.
登録日1989-09-05
公開日1989-09-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Recognition of a DNA operator by the repressor of phage 434: a view at high resolution.
Science, 242, 1988
7M7H
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BU of 7m7h by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1'
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7GNL
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BU of 7gnl by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-1 (Mpro-P2757)
分子名称: (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7M7G
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BU of 7m7g by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
2OTM
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BU of 2otm by Molmil
Crystal structure of a putative endoribonuclease (so_1960) from shewanella oneidensis mr-1 at 1.85 A resolution
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-02-08
公開日2007-02-20
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of hypothetical protein (NP_717567.1) from Shewanella oneidensis at 1.85 A resolution
To be published
2ZK0
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BU of 2zk0 by Molmil
Human peroxisome proliferator-activated receptor gamma ligand binding domain
分子名称: Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
2GKL
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BU of 2gkl by Molmil
Crystal structure of the zinc carbapenemase CPHA in complex with the inhibitor pyridine-2,4-dicarboxylate
分子名称: Beta-lactamase, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Garau, G, Dideberg, O.
登録日2006-04-03
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Competitive Inhibitors of the CphA Metallo-{beta}-Lactamase from Aeromonas hydrophila
Antimicrob.Agents Chemother., 51, 2007
7MIB
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BU of 7mib by Molmil
Half integration complex of Cas4/Cas1/Cas2 with Cas4 still on the Non-PAM side
分子名称: CRISPR-associated endoribonuclease Cas2, CRISPR-associated exonuclease Cas4/endonuclease Cas1 fusion, DNA (31-MER), ...
著者Hu, C.Y, Ke, A.K.
登録日2021-04-16
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Mechanism for Cas4-assisted directional spacer acquisition in CRISPR-Cas.
Nature, 598, 2021
3KLS
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BU of 3kls by Molmil
Structure of complement C5 in complex with SSL7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
著者Laursen, N.S, Gordon, N, Hermans, S, Lorenz, N, Jackson, N, Wines, B, Spillner, E, Christensen, J.B, Jensen, M, Fredslund, F, Bjerre, M, Sottrup-Jensen, L, Fraser, J.D, Andersen, G.R.
登録日2009-11-09
公開日2009-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus
Proc.Natl.Acad.Sci.USA, 107, 2010
7M7F
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BU of 7m7f by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
2OUK
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BU of 2ouk by Molmil
ABC Protein ArtP in complex with Sulphate
分子名称: SULFATE ION, protein ArtP
著者Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A.
登録日2007-02-11
公開日2008-01-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of the ATP-binding cassette (ABC) protein ArtP from Geobacillus stearothermophilus reveal a stable dimer in the post hydrolysis state and an asymmetry in the dimerization region
To be Published
2ZL0
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BU of 2zl0 by Molmil
Crystal structure of H.pylori ClpP
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Kim, D.Y, Kim, K.K.
登録日2008-04-02
公開日2008-04-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis for the activation and peptide recognition of bacterial ClpP
J.Mol.Biol., 379, 2008
2Z37
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BU of 2z37 by Molmil
Crystal structure of Brassica juncea chitinase catalytic module (Bjchi3)
分子名称: Chitinase
著者Ubhayasekera, W, Berglund, G, Bergfors, T, Mowbray, S.L.
登録日2007-06-02
公開日2007-06-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
3KOH
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BU of 3koh by Molmil
Cytochrome P450 2E1 with omega-imidazolyl octanoic acid
分子名称: 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, Porubsky, P.R.
登録日2009-11-13
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
3KOY
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Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Aerobic)
分子名称: (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
7GLP
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BU of 7glp by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ADA-UCB-6c2cb422-1 (Mpro-P2005)
分子名称: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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