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PDB: 41042 results

2CNG
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BU of 2cng by Molmil
Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B
Descriptor: GLYCEROL, MAGNESIUM ION, N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE, ...
Authors:Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-21
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
8B07
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BU of 8b07 by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with sinefungin
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, SINEFUNGIN
Authors:Silhan, J, Klima, M, Boura, E.
Deposit date:2022-09-07
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8AD9
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BU of 8ad9 by Molmil
Crystal structure of ClpC2 C-terminal domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cyclomarin A, ...
Authors:Taylor, G, Cui, H.J, Leodolter, J, Giese, C, Weber-Ban, E.
Deposit date:2022-07-08
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:ClpC2 protects mycobacteria against a natural antibiotic targeting ClpC1-dependent protein degradation.
Commun Biol, 6, 2023
7H19
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BU of 7h19 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013827-001
Descriptor: 4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H1A
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BU of 7h1a by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013833-001
Descriptor: 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
2R4W
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BU of 2r4w by Molmil
Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
Deposit date:2007-09-02
Release date:2007-11-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
7GZL
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BU of 7gzl by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008304-001
Descriptor: (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZA
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BU of 7gza by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000479-001
Descriptor: (3R)-3-(propan-2-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one, Non-structural protein 3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZ6
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BU of 7gz6 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000243-001
Descriptor: (3R)-3-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZK
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BU of 7gzk by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000877-001
Descriptor: N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.163 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZ4
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BU of 7gz4 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000018-001
Descriptor: 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Non-structural protein 3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.119 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZH
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BU of 7gzh by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000670-001
Descriptor: (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid, Non-structural protein 3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
2LEG
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BU of 2leg by Molmil
Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR and X-ray experimental data
Descriptor: Disulfide bond formation protein B, Thiol:disulfide interchange protein DsbA, UBIQUINONE-1, ...
Authors:Tang, M, Sperling, L.J, Berthold, D.A, Schwieters, C.D, Nesbitt, A.E, Nieuwkoop, A.J, Gennis, R.B, Rienstra, C.M.
Deposit date:2011-06-15
Release date:2011-10-26
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.
J.Biomol.Nmr, 51, 2011
2G8Y
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BU of 2g8y by Molmil
The structure of a putative malate/lactate dehydrogenase from E. coli.
Descriptor: 1,2-ETHANEDIOL, Malate/L-lactate dehydrogenases, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cuff, M.E, Skarina, T, Edwards, A, Savchenko, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-03-03
Release date:2006-04-25
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of a putative malate/lactate dehydrogenase from E. coli.
To be Published
6XL3
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BU of 6xl3 by Molmil
Mastigocladopsis repens rhodopsin chloride pump
Descriptor: CHLORIDE ION, DECANE, Mastigocladopsis repens rhodopsin chloride pump, ...
Authors:Besaw, J.E, Ernst, O.P, Ou, W, Morizumi, T.
Deposit date:2020-06-28
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants.
J.Biol.Chem., 295, 2020
3DC5
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BU of 3dc5 by Molmil
Crystal Structure of a manganese superoxide dismutases from Caenorhabditis elegans
Descriptor: MALONATE ION, MANGANESE (II) ION, Superoxide dismutase [Mn] 2
Authors:Trinh, C.H, Hunter, T, Stewart, E.E, Phillips, S.E.V, Hunter, G.J.
Deposit date:2008-06-03
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Purification, crystallization and X-ray structures of the two manganese superoxide dismutases from Caenorhabditis elegans
Acta Crystallogr.,Sect.F, 64, 2008
8DOA
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BU of 8doa by Molmil
Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)
Descriptor: HEEH mini-protein TK_rd5_0958
Authors:Houliston, S, Kim, T.-E, Rocklin, G, Arrowsmith, C.H.
Deposit date:2022-07-12
Release date:2022-10-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
1HIG
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BU of 1hig by Molmil
THREE-DIMENSIONAL STRUCTURE OF RECOMBINANT HUMAN INTERFERON-GAMMA.
Descriptor: INTERFERON-GAMMA
Authors:Ealick, S.E, Cook, W.J, Vijay-Kumar, S, Carson, M, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E.
Deposit date:1991-10-03
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Three-dimensional structure of recombinant human interferon-gamma.
Science, 252, 1991
8FHW
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BU of 8fhw by Molmil
Cryo-EM structure of Cryptococcus neoformans trehalose-6-phosphate synthase homotetramer in complex with uridine diphosphate and glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE
Authors:Washington, E.J, Brennan, R.G.
Deposit date:2022-12-15
Release date:2023-12-20
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of trehalose-6-phosphate synthase, Tps1, from the fungal pathogen Cryptococcus neoformans : a target for novel antifungals.
Biorxiv, 2024
6XNZ
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BU of 6xnz by Molmil
Structure of RAG1 (R848M/E649V)-RAG2-DNA Target Capture Complex
Descriptor: 12RSS integration strand (34-mer), 12RSS non-integration strand (34-mer), 23RSS integration strand (45-mer), ...
Authors:Zhang, Y, Corbett, E, Wu, S, Schatz, D.G.
Deposit date:2020-07-05
Release date:2020-08-26
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for the activation and suppression of transposition during evolution of the RAG recombinase.
Embo J., 39, 2020
6P6E
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BU of 6p6e by Molmil
Structure of Mouse Importin alpha - PAC3 NLS peptide complex
Descriptor: Importin subunit alpha-1, PAC3 NLS
Authors:Bernardes, N.E, Silva, T.D, Fukuda, C.A, Oliveira, H.C, Fontes, M.R.M.
Deposit date:2019-06-03
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Comparative study of the interactions between fungal transcription factor nuclear localization sequences with mammalian and fungal importin-alpha.
Sci Rep, 10, 2020
2QWO
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BU of 2qwo by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #1
Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2FZC
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BU of 2fzc by Molmil
The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.10 Resolution
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Heng, S, Stieglitz, K.A, Eldo, J, Xia, J, Cardia, J.P, Kantrowitz, E.R.
Deposit date:2006-02-09
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:T-state Inhibitors of E. coli Aspartate Transcarbamoylase that Prevent the Allosteric Transition.
Biochemistry, 45, 2006
8FTD
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BU of 8ftd by Molmil
Structure of Escherichia coli CedA in complex with transcription initiation complex
Descriptor: CHAPSO, Cell division activator CedA, DNA-directed RNA polymerase subunit alpha, ...
Authors:Liu, M, Vassyliev, N, Nudler, E.
Deposit date:2023-01-11
Release date:2024-01-10
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:General transcription factor from Escherichia coli with a distinct mechanism of action.
Nat.Struct.Mol.Biol., 31, 2024
6R7I
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BU of 6r7i by Molmil
Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Faull, S.F, Lau, A.M.C, Beuron, F, Cronin, N.B, Morris, E.P, Politis, A.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2019-09-04
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome.
Nat Commun, 10, 2019

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