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2EU1
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BU of 2eu1 by Molmil
Crystal structure of the chaperonin GroEL-E461K
Descriptor: GROEL
Authors:Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A.
Deposit date:2005-10-28
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K).
J.Struct.Biol., 155, 2006
5DP5
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BU of 5dp5 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 4
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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BU of 5dp7 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 5
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
5DP3
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BU of 5dp3 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 2
Descriptor: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP6
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BU of 5dp6 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 7
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
7F24
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BU of 7f24 by Molmil
Cryo-EM structure of the GTP-bound dopamine receptor 1 and mini-Gs complex without Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-TRIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F0T
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BU of 7f0t by Molmil
Cryo-EM structure of dopamine receptor 1 and mini-Gs complex with dopamine bound
Descriptor: D(1A) dopamine receptor, 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:Xiao, T, Zheng, S.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F23
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BU of 7f23 by Molmil
Cryo-EM structure of the GTP-bound dopamine receptor 1 and mini-Gs complex with Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-TRIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F1O
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BU of 7f1o by Molmil
Cryo-EM structure of the GDP-bound dopamine receptor 1 and mini-Gs complex with Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-09
Release date:2022-06-15
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F1Z
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BU of 7f1z by Molmil
Cryo-EM structure of the GDP-bound dopamine receptor 1 and mini-Gs complex without Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7MW4
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BU of 7mw4 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW2
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BU of 7mw2 by Molmil
Structure of the SARS-CoV-2 Spike trimer with all RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of antibody clone 6, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW5
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BU of 7mw5 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of antibody clone 2, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW3
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BU of 7mw3 by Molmil
Structure of the SARS-CoV-2 Spike trimer with two RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
Authors:Xia, Z, Huang, L.
Deposit date:2007-01-14
Release date:2008-01-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
7LHB
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BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
Descriptor: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Authors:Judge, R.A, Salem, A.H.
Deposit date:2021-01-21
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
Descriptor: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
Authors:Chen, S.D, Yang, M.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
Descriptor: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
Authors:Xia, Z.
Deposit date:2007-01-15
Release date:2008-01-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
5YUF
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BU of 5yuf by Molmil
Crystal Structure of PML RING tetramer
Descriptor: Protein PML, ZINC ION
Authors:Wang, P, Benhend, S, Wu, H, Breitenbach, V, Zhen, T, Jollivet, F, Peres, L, Li, Y, Chen, S, Chen, Z, de THE, H, Meng, G.
Deposit date:2017-11-22
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RING tetramerization is required for nuclear body biogenesis and PML sumoylation.
Nat Commun, 9, 2018
7MW6
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BU of 7mw6 by Molmil
Structure of the SARS-CoV-2 Spike trimer with three RBDs up in complex with the Fab fragment of human neutralizing antibody clone 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
Descriptor: D-alanine-D-alanine ligase
Authors:Wu, D, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-05-10
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
4IOP
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BU of 4iop by Molmil
Crystal structure of NKp65 bound to its ligand KACL
Descriptor: C-type lectin domain family 2 member A, Killer cell lectin-like receptor subfamily F member 2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y.
Deposit date:2013-01-08
Release date:2013-07-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of NKp65 bound to its keratinocyte ligand reveals basis for genetically linked recognition in natural killer gene complex.
Proc.Natl.Acad.Sci.USA, 110, 2013
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017

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数据于2024-10-16公开中

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