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PDB: 475 results

3AKA
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BU of 3aka 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:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
2C5Y
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DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor: CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
Authors:Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2005-11-03
Release date:2006-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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
2FEF
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BU of 2fef by Molmil
The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, hypothetical protein PA2201
Authors:Cymborowski, M.T, Chruszcz, M, Wang, S, Shumilin, I, Kudritska, M, Evdokimova, E, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-12-15
Release date:2006-01-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa
To be Published
7VJT
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Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8
Descriptor: 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase)
Authors:Zhang, W, Wang, S.S, Yu, L.F.
Deposit date:2021-09-28
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment.
J.Med.Chem., 65, 2022
4KC4
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BU of 4kc4 by Molmil
Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
Descriptor: 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ...
Authors:Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
Deposit date:2013-04-24
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
2G3B
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BU of 2g3b by Molmil
Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
Descriptor: GLYCEROL, putative TetR-family transcriptional regulator
Authors:Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Wang, S, Koclega, K.D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-02-17
Release date:2006-03-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
To be Published
4KC1
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Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
Descriptor: 6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ...
Authors:Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
Deposit date:2013-04-24
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
4KC2
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BU of 4kc2 by Molmil
Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
Descriptor: 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ...
Authors:Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
Deposit date:2013-04-24
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
2FEX
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BU of 2fex by Molmil
The Crystal Structure of DJ-1 Superfamily Protein Atu0886 from Agrobacterium tumefaciens
Descriptor: GLYCEROL, SULFATE ION, conserved hypothetical protein
Authors:Cymborowski, M.T, Wang, S, Chruszcz, M, Shumilin, I, Gu, J, Xu, X, Edwards, A.M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-12-16
Release date:2006-01-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of DJ-1 Superfamily Protein Atu0886 from Agrobacterium tumefaciens
To be Published
3DCA
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BU of 3dca by Molmil
Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
Descriptor: RPA0582, SULFATE ION
Authors:Sledz, P, Wang, S, Chruszcz, M, Yim, V, Kudritska, M, Evdokimova, E, Turk, D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-06-03
Release date:2008-08-05
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
To be Published
4XPD
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BU of 4xpd by Molmil
Crystal structure of yeast N-terminal acetyltransferase NatE (ppGpp) in complex with a bisubstrate
Descriptor: ACETYL COENZYME *A, CARBOXYMETHYL COENZYME *A, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
Authors:Dong, J, Wang, S, York, J.D.
Deposit date:2015-01-16
Release date:2016-07-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of yeast N-terminal acetyltransferase NatE (ppGpp) in complex with a bisubstrate
To Be Published
4YLF
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BU of 4ylf by Molmil
Insights into flavin-based electron bifurcation via the NADH-dependent reduced ferredoxin-NADP oxidoreductase structure
Descriptor: Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog, Dihydropyrimidine dehydrogenase subunit A, ...
Authors:Ermler, U, Thauer, R.K, Demmer, J.K, Huang, H, Wang, S, Demmer, U.
Deposit date:2015-03-05
Release date:2015-07-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
J.Biol.Chem., 290, 2015
4Y49
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BU of 4y49 by Molmil
Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
Descriptor: ACETYL COENZYME *A, ALA-ALA-ALA-ALA-ALA-ALA, CARBOXYMETHYL COENZYME *A, ...
Authors:Dong, J, Wang, S, York, J.D.
Deposit date:2015-02-10
Release date:2016-07-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
To Be Published
4YRY
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BU of 4yry by Molmil
Insights into flavin-based electron bifurcation via the NADH-dependent reduced ferredoxin-NADP oxidoreductase structure
Descriptor: Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog, Dihydropyrimidine dehydrogenase subunit A, ...
Authors:Ermler, U, Thauer, R.K, Demmer, J.K, Huang, H, Wang, S, Demmer, U.
Deposit date:2015-03-16
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
J.Biol.Chem., 290, 2015
4GMB
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BU of 4gmb by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-402
Descriptor: MM-402, WD repeat-containing protein 5
Authors:Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
Deposit date:2012-08-15
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
6LPC
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BU of 6lpc by Molmil
Crystal Structure of rat Munc18-1 with K332E/K333E mutation
Descriptor: Syntaxin-binding protein 1
Authors:Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C.
Deposit date:2020-01-09
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.402 Å)
Cite:Munc13 activates the Munc18-1/syntaxin-1 complex and enables Munc18-1 to prime SNARE assembly.
Embo J., 39, 2020
4LMY
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BU of 4lmy by Molmil
Structure of GAS PerR-Zn-Zn
Descriptor: Peroxide stress regulator PerR, FUR family, ZINC ION
Authors:Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S.
Deposit date:2013-07-11
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding
Plos One, 9, 2014
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
7WI0
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BU of 7wi0 by Molmil
SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
Authors:Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
Deposit date:2022-01-01
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
Authors:Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
Deposit date:2022-01-01
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
5WSO
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BU of 5wso by Molmil
crystal structure of BVDV NS3 helicase
Descriptor: NS3 helicase
Authors:Li, P, Shi, J, Wang, S, Li, S, Mao, X.
Deposit date:2016-12-08
Release date:2017-12-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal structure of BVDV NS3 helicase
To Be Published
5TJB
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I-II linker of TRPML1 channel at pH 4.5
Descriptor: Mucolipin-1
Authors:Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J.
Deposit date:2016-10-04
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
5TJA
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I-II linker of TRPML1 channel at pH 6
Descriptor: Mucolipin-1
Authors:Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J.
Deposit date:2016-10-04
Release date:2017-01-25
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017

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