3KVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kvx by Molmil](/molmil-images/mine/3kvx) | JNK3 bound to aminopyrimidine inhibitor, SR-3562 | Descriptor: | 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 | Authors: | Habel, J.E, Laughlin, J.D, LoGrasso, P. | Deposit date: | 2009-11-30 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors J.Med.Chem., 53, 2010
|
|
2GJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gjx by Molmil](/molmil-images/mine/2gjx) | Crystallographic structure of human beta-Hexosaminidase A | Descriptor: | 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, ... | Authors: | Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N.G. | Deposit date: | 2006-03-31 | Release date: | 2006-06-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic structure of human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss
of GM2 Ganglioside Hydrolysis J.Mol.Biol., 359, 2006
|
|
7MK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mk1 by Molmil](/molmil-images/mine/7mk1) | Structure of a protein-modified aptamer complex | Descriptor: | Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ... | Authors: | Ren, X, Pyle, A.M. | Deposit date: | 2021-04-21 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA. J.Mol.Biol., 433, 2021
|
|
3KXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kxf by Molmil](/molmil-images/mine/3kxf) | Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J. | Deposit date: | 2009-12-03 | Release date: | 2010-06-09 | Last modified: | 2014-02-26 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jgi by Molmil](/molmil-images/mine/7jgi) | NMR structure of the cNTnC-cTnI chimera bound to A7 | Descriptor: | 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid, CALCIUM ION, Troponin C, ... | Authors: | Cai, F, Robertson, I.M, Kampourakis, T, Klein, B.A, Sykes, B.D. | Deposit date: | 2020-07-19 | Release date: | 2020-09-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers. Acs Chem.Biol., 15, 2020
|
|
7M7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m7e by Molmil](/molmil-images/mine/7m7e) | 6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2 | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
|
|
3KK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kk8 by Molmil](/molmil-images/mine/3kk8) | CaMKII Substrate Complex A | Descriptor: | Calcium/calmodulin dependent protein kinase II, MAGNESIUM ION | Authors: | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | Deposit date: | 2009-11-04 | Release date: | 2010-02-09 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
|
|
7GSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsb by Molmil](/molmil-images/mine/7gsb) | |
2OQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oqy by Molmil](/molmil-images/mine/2oqy) | The crystal structure of muconate cycloisomerase from Oceanobacillus iheyensis | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | 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) | Deposit date: | 2007-02-01 | Release date: | 2007-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
|
|
2OR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2or1 by Molmil](/molmil-images/mine/2or1) | RECOGNITION OF A DNA OPERATOR BY THE REPRESSOR OF PHAGE 434. A VIEW AT HIGH RESOLUTION | Descriptor: | 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') | Authors: | Aggarwal, A.K, Rodgers, D.W, Drottar, M, Ptashne, M, Harrison, S.C. | Deposit date: | 1989-09-05 | Release date: | 1989-09-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Recognition of a DNA operator by the repressor of phage 434: a view at high resolution. Science, 242, 1988
|
|
7M7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m7h by Molmil](/molmil-images/mine/7m7h) | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1' | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
|
|
7GNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gnl by Molmil](/molmil-images/mine/7gnl) | 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) | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.681 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7M7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m7g by Molmil](/molmil-images/mine/7m7g) | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2 | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
|
|
2OTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2otm by Molmil](/molmil-images/mine/2otm) | |
2ZK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zk0 by Molmil](/molmil-images/mine/2zk0) | Human peroxisome proliferator-activated receptor gamma ligand binding domain | Descriptor: | Peroxisome proliferator-activated receptor gamma | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | Deposit date: | 2008-03-12 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids J.Mol.Biol., 385, 2009
|
|
2GKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gkl by Molmil](/molmil-images/mine/2gkl) | Crystal structure of the zinc carbapenemase CPHA in complex with the inhibitor pyridine-2,4-dicarboxylate | Descriptor: | Beta-lactamase, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | Authors: | Garau, G, Dideberg, O. | Deposit date: | 2006-04-03 | Release date: | 2007-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Competitive Inhibitors of the CphA Metallo-{beta}-Lactamase from Aeromonas hydrophila Antimicrob.Agents Chemother., 51, 2007
|
|
7MIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mib by Molmil](/molmil-images/mine/7mib) | |
3KLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kls by Molmil](/molmil-images/mine/3kls) | Structure of complement C5 in complex with SSL7 | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2009-11-09 | Release date: | 2009-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
7M7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m7f by Molmil](/molmil-images/mine/7m7f) | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1 | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
|
|
2OUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ouk by Molmil](/molmil-images/mine/2ouk) | ABC Protein ArtP in complex with Sulphate | Descriptor: | SULFATE ION, protein ArtP | Authors: | Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A. | Deposit date: | 2007-02-11 | Release date: | 2008-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zl0 by Molmil](/molmil-images/mine/2zl0) | Crystal structure of H.pylori ClpP | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Kim, D.Y, Kim, K.K. | Deposit date: | 2008-04-02 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structural basis for the activation and peptide recognition of bacterial ClpP J.Mol.Biol., 379, 2008
|
|
2Z37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z37 by Molmil](/molmil-images/mine/2z37) | |
3KOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3koh by Molmil](/molmil-images/mine/3koh) | Cytochrome P450 2E1 with omega-imidazolyl octanoic acid | Descriptor: | 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, Porubsky, P.R. | Deposit date: | 2009-11-13 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode. J.Biol.Chem., 285, 2010
|
|
3KOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3koy by Molmil](/molmil-images/mine/3koy) | Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Aerobic) | Descriptor: | (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ... | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | Deposit date: | 2009-11-14 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase. J.Biol.Chem., 285, 2010
|
|
7GLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7glp by Molmil](/molmil-images/mine/7glp) | 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) | Descriptor: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|