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4Y8Z
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BU of 4y8z by Molmil
Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
8WCT
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BU of 8wct by Molmil
The crystal structure of the CHASE4 domain of iron-sensetive membrane protein (IsmP,Uniprot ID:Q9I243)
Descriptor: Bifunctional diguanylate cyclase/phosphodiesterase, GLYCEROL
Authors:Wang, C.C.
Deposit date:2023-09-13
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
8WCN
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BU of 8wcn by Molmil
Cryo-EM structure of PAO1-ImcA with GMPCPP
Descriptor: Diguanylate cyclase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Zhan, X.L, Zhang, K, Wang, C.C, Fan, Q, Tang, X.J, Zhang, X, Wang, K, Fu, Y, Liang, H.H.
Deposit date:2023-09-13
Release date:2024-03-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
6GPN
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BU of 6gpn by Molmil
Crystal Structure of the CsiD Glutarate Hydroxylase in complex with N-Oxalylglycine
Descriptor: FE (II) ION, Glutarate 2-hydroxylase, N-OXALYLGLYCINE
Authors:Williams, R.M, Mayans, O, Hartig, J.S.
Deposit date:2018-06-06
Release date:2019-01-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Widespread bacterial lysine degradation proceeding via glutarate and L-2-hydroxyglutarate.
Nat Commun, 9, 2018
4Y8Y
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BU of 4y8y by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
6GPE
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BU of 6gpe by Molmil
Crystal Structure of the CsiD Glutarate Hydroxylase
Descriptor: FE (II) ION, Protein CsiD
Authors:Williams, R.M, Mayans, O, Hartig, J.S.
Deposit date:2018-06-05
Release date:2018-12-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Widespread bacterial lysine degradation proceeding via glutarate and L-2-hydroxyglutarate.
Nat Commun, 9, 2018
5T92
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BU of 5t92 by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
Descriptor: (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor
Authors:Kirby, C, Baird, J.
Deposit date:2016-09-09
Release date:2017-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
4Y8X
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BU of 4y8x by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
7JMN
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BU of 7jmn by Molmil
Tail module of Mediator complex
Descriptor: MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ...
Authors:Zhang, H.Q, Chen, D.C.
Deposit date:2020-08-02
Release date:2021-03-03
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Mediator structure and conformation change.
Mol.Cell, 81, 2021
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
Descriptor: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
Descriptor: Envelope glycoprotein,AP1, GLYCEROL
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
6KPP
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BU of 6kpp by Molmil
BNC105 in complex with tubulin
Descriptor: (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, T, Wu, C, Pu, D.
Deposit date:2019-08-15
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74524117 Å)
Cite:Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
4F7T
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BU of 4f7t by Molmil
Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F.
Deposit date:2012-05-16
Release date:2012-10-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
5EXN
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BU of 5exn by Molmil
FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Authors:Sheriff, S.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXL
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BU of 5exl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
Descriptor: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXM
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BU of 5exm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
4F7P
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BU of 4f7p by Molmil
Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009H1N1 PB1 (496-505)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F.
Deposit date:2012-05-16
Release date:2012-10-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
4F7M
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BU of 4f7m by Molmil
Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PA (649-658)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, George, F.G.
Deposit date:2012-05-16
Release date:2012-10-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
2XGT
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BU of 2xgt by Molmil
Asparaginyl-tRNA synthetase from Brugia malayi complexed with the sulphamoyl analogue of asparaginyl-adenylate
Descriptor: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, ASPARAGINYL-TRNA SYNTHETASE, CYTOPLASMIC, ...
Authors:Crepin, T, Haertlein, M, Kron, M, Cusack, S.
Deposit date:2010-06-07
Release date:2010-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
7WPO
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BU of 7wpo by Molmil
Structure of NeoCOV RBD binding to Bat37 ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
Deposit date:2022-01-24
Release date:2022-11-30
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WPZ
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BU of 7wpz by Molmil
Structure of PDF-2180-COV RBD binding to Bat37 ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
Deposit date:2022-01-24
Release date:2022-11-30
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
8HKX
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BU of 8hkx by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
Descriptor: 16s rRNA (1491-MER), 30S ribosomal protein, 30S ribosomal protein S10, ...
Authors:Wang, Y.H, Zhou, J.
Deposit date:2022-11-28
Release date:2023-08-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
8HKZ
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BU of 8hkz by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
Descriptor: 16S rRNA (1493-MER), 23S rRNA (2996-MER), 30S ribosomal protein S10, ...
Authors:Wang, Y.H, Zhou, J.
Deposit date:2022-11-28
Release date:2023-08-30
Last modified:2025-02-05
Method:ELECTRON MICROSCOPY (4.78 Å)
Cite:Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
8HKY
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BU of 8hky by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Wang, Y.H, Zhou, J.
Deposit date:2022-11-28
Release date:2023-08-30
Last modified:2025-02-05
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite:Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023

238582

数据于2025-07-09公开中

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