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6MGI
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BU of 6mgi by Molmil
Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the allosteric activator glucose-6-phosphate in its allosteric site
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, 6-O-phosphono-alpha-D-glucopyranose, ...
Authors:Gonzalez-Segura, L, Munoz-Clares, R.A.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Biochem.J., 477, 2020
2RPR
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BU of 2rpr by Molmil
Solution structure of the fifth FLYWCH domain of FLYWCH-type zinc finger-containing protein 1
Descriptor: FLYWCH-type zinc finger-containing protein 1, ZINC ION
Authors:Enomoto, M, Saito, K, Tochio, N, Kigawa, T, Yokoyama, S, Nameki, N.
Deposit date:2008-07-24
Release date:2009-08-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the fifth FLYWCH domain of FLYWCH-type zinc finger-containing protein 1
To be Published
5VW1
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BU of 5vw1 by Molmil
Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, H, Patel, D.J.
Deposit date:2017-05-21
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Inhibition Mechanism of an Anti-CRISPR Suppressor AcrIIA4 Targeting SpyCas9.
Mol. Cell, 67, 2017
4S24
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BU of 4s24 by Molmil
1.7 Angstrom Crystal Structure of of Putative Modulator of Drug Activity (apo- form) from Yersinia pestis CO92
Descriptor: DI(HYDROXYETHYL)ETHER, Modulator of drug activity B, PENTAETHYLENE GLYCOL, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-01-19
Release date:2015-02-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.7 Angstrom Crystal Structure of of Putative Modulator of Drug Activity (apo- form) from Yersinia pestis CO92.
TO BE PUBLISHED
1EGL
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BU of 1egl by Molmil
THE SOLUTION STRUCTURE OF EGLIN C BASED ON MEASUREMENTS OF MANY NOES AND COUPLING CONSTANTS AND ITS COMPARISON WITH X-RAY STRUCTURES
Descriptor: EGLIN C
Authors:Hyberts, S.G, Goldberg, M.S, Havel, T.F, Wagner, G.
Deposit date:1993-09-03
Release date:1994-01-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of eglin c based on measurements of many NOEs and coupling constants and its comparison with X-ray structures.
Protein Sci., 1, 1992
3BO9
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BU of 3bo9 by Molmil
Crystal structure of putative nitroalkan dioxygenase (TM0800) from Thermotoga maritima at 2.71 A resolution
Descriptor: 1,2-ETHANEDIOL, NONAETHYLENE GLYCOL, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-17
Release date:2007-12-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of putative nitroalkan dioxygenase (TM0800) from Thermotoga maritima at 2.71 A resolution
To be published
4YH3
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BU of 4yh3 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)
Descriptor: 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
Authors:White, A, Lakshminarasimhan, D, Suto, R.K.
Deposit date:2015-02-26
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
Descriptor: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-04
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
4LQT
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BU of 4lqt by Molmil
1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant
Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein
Authors:Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
6JRJ
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BU of 6jrj by Molmil
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
Descriptor: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-04
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.943 Å)
Cite:Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
5GGG
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BU of 5ggg by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase form I
Descriptor: Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-16
Release date:2016-08-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
5GGN
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BU of 5ggn by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GlcNAc-beta-pNP
Descriptor: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-16
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.211 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
5H0N
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BU of 5h0n by Molmil
Crystal structure of HIV-1 fusion inhibitor MT-WQ-IDL bound to gp41 NHR
Descriptor: HIV-1 fusion inhibitor MT-WQ-IDL, HIV-1 gp41 NHR
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2016-10-06
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Creating an Artificial Tail Anchor as a Novel Strategy To Enhance the Potency of Peptide-Based HIV Fusion Inhibitors
J. Virol., 91, 2017
5CIB
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BU of 5cib by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to 2,4-dimethylaniline with iso-1 cytochrome c
Descriptor: 2,4-dimethylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
Authors:Crane, B.R, Payne, T.M.
Deposit date:2015-07-11
Release date:2016-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
2GZ4
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BU of 2gz4 by Molmil
1.5 A Crystal Structure of a Protein of Unknown Function ATU1052 from Agrobacterium tumefaciens
Descriptor: Hypothetical protein Atu1052
Authors:Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-05-10
Release date:2006-06-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.5A crystal structure of a hypothetical protein Atu1052 from Agrobacterium tumefaciens
To be Published
1SH8
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BU of 1sh8 by Molmil
1.5 A Crystal Structure of a Protein of Unknown Function PA5026 from Pseudomonas aeruginosa, Probable Thioesterase
Descriptor: hypothetical protein PA5026
Authors:Zhang, R, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-02-25
Release date:2004-07-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.5A crystal structure of a hypothetical protein PA5026 from Pseudomonas aeruginosa
To be Published
4LSM
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BU of 4lsm by Molmil
Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, cytosolic, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-07-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
TO BE PUBLISHED
4LYI
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BU of 4lyi by Molmil
Crystal Structure of apo-BRD4(1)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
Authors:Wohlwend, D.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
6KEV
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BU of 6kev by Molmil
Reduced phosphoribulokinase from Synechococcus elongatus PCC 7942 complexed with adenosine diphosphate and glucose 6-phosphate
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Yu, A, Xie, Y, Li, M.
Deposit date:2019-07-05
Release date:2020-05-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.506139 Å)
Cite:Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
4EGD
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BU of 4egd by Molmil
1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
Descriptor: CALCIUM ION, CHLORIDE ION, Uncharacterized protein SAOUHSC_02783
Authors:Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-30
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
TO BE PUBLISHED
5DXK
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BU of 5dxk by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
Descriptor: 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-23
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DWG
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BU of 5dwg by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
Descriptor: 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-22
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4MJM
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BU of 4mjm by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Short Internal Deletion of CBS Domain from Bacillus anthracis str. Ames
Descriptor: 1,2-ETHANEDIOL, Inosine-5'-monophosphate dehydrogenase
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-03
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2544 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Short Internal Deletion of CBS Domain from Bacillus anthracis str. Ames
To be Published, 2013
5E3D
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BU of 5e3d by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED7
Descriptor: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-10-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
6KOC
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BU of 6koc by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline
Descriptor: 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
Authors:Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020

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数据于2025-10-15公开中

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