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PDB: 146 results

2CVW
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BU of 2cvw by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1, ...
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZGG
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BU of 1zgg by Molmil
Solution structure of a low molecular weight protein tyrosine phosphatase from Bacillus subtilis
Descriptor: Putative low molecular weight protein-tyrosine-phosphatase ywlE
Authors:Xu, H, Xia, B, Jin, C.
Deposit date:2005-04-21
Release date:2006-03-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of a low-molecular-weight protein tyrosine phosphatase from Bacillus subtilis
J.Bacteriol., 188, 2006
1ZYZ
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BU of 1zyz by Molmil
Structures of Yeast Ribonucloetide Reductase I
Descriptor: GLYCINE, Ribonucleoside-diphosphate reductase large chain 1
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-13
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZZD
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BU of 1zzd by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: Ribonucleoside-diphosphate reductase large chain 1, Ribonucleoside-diphosphate reductase small chain 2
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-13
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2ZLF
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BU of 2zlf by Molmil
The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase
Descriptor: FTLDADF, Ribonucleoside-diphosphate reductase large chain 1
Authors:Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C.
Deposit date:2008-04-09
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
2ZLG
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The Structual Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase
Descriptor: (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid, GLYCEROL, Ribonucleoside-diphosphate reductase large chain 1
Authors:Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C.
Deposit date:2008-04-09
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
2GZY
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BU of 2gzy by Molmil
solution structures of the reduced form of thioredoxin from Bacillus subtilis
Descriptor: Thioredoxin
Authors:Xu, H, Zhang, X, Chen, J, Jin, C.
Deposit date:2006-05-12
Release date:2007-02-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis.
J.Biol.Chem., 282, 2007
2GZZ
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BU of 2gzz by Molmil
solution structures of the oxidized form of thioredoxin from Bacillus subtilis
Descriptor: thioredoxin
Authors:Xu, H, Zhang, X, Chen, J, Jin, C.
Deposit date:2006-05-12
Release date:2007-02-13
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis.
J.Biol.Chem., 282, 2007
6LG4
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BU of 6lg4 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-1024
Descriptor: 7-chloranyl-5-nitro-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y, Zhang, H.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG8
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BU of 6lg8 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2138
Descriptor: 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y, Zhang, H.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG9
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BU of 6lg9 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2143
Descriptor: 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
7XHE
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BU of 7xhe by Molmil
Crystal structure of CBP bromodomain liganded with CCS151
Descriptor: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-08
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XH6
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BU of 7xh6 by Molmil
Crystal structure of CBP bromodomain liganded with CCS1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-07
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XI0
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BU of 7xi0 by Molmil
Crystal structure of CBP bromodomain liganded with CCS150
Descriptor: (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-11
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7EK0
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BU of 7ek0 by Molmil
Complex Structure of antibody BD-503 and RBD-N501Y of COVID-19
Descriptor: Heavy Chain of BD-503, Light Chain of BD-503, Spike protein S1
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-04-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7EJZ
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BU of 7ejz by Molmil
Complex Structure of antibody BD-503 and RBD-S477N of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-04-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7EJY
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BU of 7ejy by Molmil
Complex Structure of antibody BD-503 and RBD of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-04-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7F6Z
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BU of 7f6z by Molmil
Complex Structure of antibody BD-503 and RBD-501Y.V2 of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-06-26
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7F6Y
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BU of 7f6y by Molmil
Complex Structure of antibody BD-503 and RBD-E484K of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-06-26
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7D4F
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BU of 7d4f by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin
Descriptor: 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yin, W, Zhou, Z, Yu, X, Xu, H.
Deposit date:2020-09-23
Release date:2020-11-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin.
Nat.Struct.Mol.Biol., 28, 2021
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
Authors:Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
Deposit date:2020-01-17
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
6YMB
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BU of 6ymb by Molmil
MicroED structure of human carbonic anhydrase II
Descriptor: ZINC ION, carbonic anhydrase 2
Authors:Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H.
Deposit date:2020-04-08
Release date:2020-08-12
Last modified:2024-01-24
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
6YMA
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BU of 6yma by Molmil
MicroED structure of acetazolamide-bound human carbonic anhydrase II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H.
Deposit date:2020-04-08
Release date:2020-08-12
Last modified:2024-01-24
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
5J3J
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BU of 5j3j by Molmil
Crystal Structure of human DPP-IV in complex with HL1
Descriptor: (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Wu, F, Li, H, Zhao, Z, Zhu, L, Xu, H, Li, S.
Deposit date:2016-03-31
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of human DPP-IV in complex with HL1
To Be Published
1XMA
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BU of 1xma by Molmil
Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
Descriptor: MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION
Authors:Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-10-01
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published

222624

PDB entries from 2024-07-17

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