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PDB: 832 results

7H1C
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0014597-001
Descriptor: 7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.44 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H08
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012346-001
Descriptor: 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-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 (1.3 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H13
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013385-001
Descriptor: 7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.22 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
6KWL
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BU of 6kwl by Molmil
Crystal structure of pSLA-1*0401(R156A) complex with FMDV-derived epitope MTAHITVPY
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
6KWO
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BU of 6kwo by Molmil
Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
1JPX
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BU of 1jpx by Molmil
Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Wild type.
Descriptor: gp41 envelope protein
Authors:Liu, J, Wang, S, LaBranche, C.C, Hoxie, J.A, Lu, M.
Deposit date:2001-08-03
Release date:2002-04-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutations that destabilize the gp41 core are determinants for stabilizing the simian immunodeficiency virus-CPmac envelope glycoprotein complex.
J.Biol.Chem., 277, 2002
1JQ0
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Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Mutant structure.
Descriptor: gp41 envelope protein
Authors:Liu, J, Wang, S, LaBranche, C.C, Hoxie, J.A, Lu, M.
Deposit date:2001-08-03
Release date:2002-04-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mutations that destabilize the gp41 core are determinants for stabilizing the simian immunodeficiency virus-CPmac envelope glycoprotein complex.
J.Biol.Chem., 277, 2002
5H3O
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BU of 5h3o by Molmil
Structure of a eukaryotic cyclic nucleotide-gated channel
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel, SODIUM ION
Authors:Li, M, Zhou, X, Wang, S, Michailidis, I, Gong, Y, Su, D, Li, H, Li, X, Yang, J.
Deposit date:2016-10-26
Release date:2017-01-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of a eukaryotic cyclic-nucleotide-gated channel.
Nature, 542, 2017
5GYJ
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BU of 5gyj by Molmil
Structure of catalytically active sortase from Clostridium difficile
Descriptor: Putative peptidase C60B, sortase B
Authors:Yin, J.-C, Fei, C.-H, Hsiao, Y.-Y, Nix, J.C, Huang, I.-H, Wang, S.
Deposit date:2016-09-22
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural Insights into Substrate Recognition by Clostridium difficile Sortase.
Front Cell Infect Microbiol, 6, 2016
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
3FZV
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BU of 3fzv by Molmil
Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
Descriptor: Probable transcriptional regulator, SULFATE ION
Authors:Knapik, A.A, Tkaczuk, K.L, Chruszcz, M, Wang, S, Zimmerman, M.D, Cymborowski, M, Skarina, T, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Bujnicki, J.M, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-26
Release date:2009-03-10
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
To be Published
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4U3H
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BU of 4u3h by Molmil
Crystal structure of FN3con
Descriptor: FN3con
Authors:Porebski, B.T, McGowan, S, Buckle, A.M.
Deposit date:2014-07-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural and dynamic properties that govern the stability of an engineered fibronectin type III domain.
Protein Eng.Des.Sel., 28, 2015
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX9
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BU of 4zx9 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2FFS
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BU of 2ffs by Molmil
Structure of PR10-allergen-like protein PA1206 from Pseudomonas aeruginosa PAO1
Descriptor: hypothetical protein PA1206
Authors:Zimmerman, M.D, Chruszcz, M, Cymborowski, M.T, Wang, S, Kirillova, O, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-12-20
Release date:2006-01-10
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of PR10-Allergen-Like Protein PA1206 From Pseudomonas aeruginosa PAO1
To be Published
6AUM
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BU of 6aum by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid.
Descriptor: 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ...
Authors:Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B.
Deposit date:2017-09-01
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase.
Bioorg. Med. Chem. Lett., 28, 2018
6L81
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BU of 6l81 by Molmil
Crystal structure of Homo sapiens GCP5 N-terminus and Mozart1
Descriptor: Gamma-tubulin complex component 5, Mitotic-spindle organizing protein 1
Authors:Huang, T.L, Wang, H.J, Wang, S.W, Hsia, K.C.
Deposit date:2019-11-04
Release date:2020-07-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19651 Å)
Cite:Promiscuous Binding of Microprotein Mozart1 to gamma-Tubulin Complex Mediates Specific Subcellular Targeting to Control Microtubule Array Formation.
Cell Rep, 31, 2020
6KYC
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BU of 6kyc by Molmil
Structure of the S207A mutant of Clostridium difficile sortase B
Descriptor: Putative peptidase C60B, sortase B
Authors:Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
Deposit date:2019-09-17
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
6L80
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BU of 6l80 by Molmil
Crystal structure of pombe Mod21 N-terminus and Mozart1
Descriptor: Gamma-tubulin complex subunit mod21, Mitotic-spindle organizing protein 1
Authors:Huang, T.L, Wang, H.J, Wang, S.W, Hsia, K.C.
Deposit date:2019-11-03
Release date:2020-07-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.00049758 Å)
Cite:Promiscuous Binding of Microprotein Mozart1 to gamma-Tubulin Complex Mediates Specific Subcellular Targeting to Control Microtubule Array Formation.
Cell Rep, 31, 2020
3AKB
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BU of 3akb by Molmil
Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein
Descriptor: CALCIUM ION, Putative calcium binding protein
Authors:Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M.
Deposit date:2010-07-09
Release date:2011-01-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
2IAI
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BU of 2iai by Molmil
Crystal structure of SCO3833, a member of the TetR transcriptional regulator family from Streptomyces coelicolor A3
Descriptor: Putative transcriptional regulator SCO3833
Authors:Zimmerman, M.D, Xu, X, Wang, S, Gu, J, Chruszcz, M, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-09-08
Release date:2006-09-26
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of SCO3833, a member of the TetR transcriptional regulator family from Streptomyces coelicolor A3
To be Published

224201

数据于2024-08-28公开中

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