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PDB: 146 results

2ZLG
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BU of 2zlg by Molmil
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
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
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
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
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
6LG5
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BU of 6lg5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
Descriptor: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, 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 (1.83 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG7
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BU of 6lg7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030
Descriptor: 2-azanyl-6-fluoranyl-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 (1.83 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG6
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BU of 6lg6 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021
Descriptor: Bromodomain-containing protein 4, N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
Authors:Xu, H, Zuo, Y.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6N4R
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BU of 6n4r by Molmil
CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
Descriptor: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
Authors:Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6N4Q
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BU of 6n4q by Molmil
CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2
Descriptor: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
Authors:Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6N4I
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BU of 6n4i by Molmil
Structural basis of Nav1.7 inhibition by a gating-modifier spider toxin
Descriptor: Beta/omega-theraphotoxin-Tp2a, Nav1.7 VSD2-NavAb channel chimera protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Xu, H, Koth, C.M, Payandeh, J.
Deposit date:2018-11-19
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.541 Å)
Cite:Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
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
2FUL
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BU of 2ful by Molmil
Crystal Structure of the C-terminal Domain of S. cerevisiae eIF5
Descriptor: Eukaryotic translation initiation factor 5, SULFATE ION
Authors:Wei, Z, Xue, Y, Xu, H, Gong, W.
Deposit date:2006-01-27
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the C-terminal Domain of S.cerevisiae eIF5
J.Mol.Biol., 359, 2006
2QRL
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BU of 2qrl by Molmil
Crystal Structure of Oxalylglycine-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae
Descriptor: N-OXALYLGLYCINE, Saccharopine dehydrogenase, NAD+, ...
Authors:Andi, B, Xu, H, Cook, P.F, West, A.H.
Deposit date:2007-07-28
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae
Biochemistry, 46, 2007
2QK8
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BU of 2qk8 by Molmil
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE
Authors:Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G.
Deposit date:2007-07-10
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007
8YUU
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BU of 8yuu by Molmil
Cryo-EM structure of the histamine-bound H3R-Gi complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
Deposit date:2024-03-27
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
8YUT
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BU of 8yut by Molmil
Cryo-EM structure of the amthamine-bound H2R-Gs complex
Descriptor: 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
Deposit date:2024-03-27
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
8YUV
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BU of 8yuv by Molmil
Cryo-EM structure of the immepip-bound H3R-Gi complex
Descriptor: 4-(1H-imidazol-5-ylmethyl)piperidine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
Deposit date:2024-03-27
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024

222036

數據於2024-07-03公開中

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