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5KU5
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BU of 5ku5 by Molmil
Crystal Structure of CusS Sensor Domain with Silver Bound
Descriptor: ACETATE ION, SILVER ION, Sensor kinase CusS
Authors:Affandi, T, Issaian, A.V, McEvoy, M.M.
Deposit date:2016-07-12
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of the Periplasmic Sensor Domain of the Histidine Kinase CusS Shows Unusual Metal Ion Coordination at the Dimeric Interface.
Biochemistry, 55, 2016
7DFE
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BU of 7dfe by Molmil
NMR structure of TuSp2-RP
Descriptor: B6 protein
Authors:Lin, Z, Fan, T, Fan, J.
Deposit date:2020-11-07
Release date:2021-11-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H, 15N and 13C resonance assignments of a repetitive domain of tubuliform spidroin 2
Biomol.Nmr Assign., 15, 2021
3OSY
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BU of 3osy by Molmil
Human enterovirus 71 3C protease
Descriptor: 3C protease
Authors:Wang, J, Fan, T, Wang, M, Cui, S.
Deposit date:2010-09-10
Release date:2011-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9923 Å)
Cite:Crystal Structure of Human Enterovirus 71 3C Protease.
J.Mol.Biol., 408, 2011
3QZR
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BU of 3qzr by Molmil
Human enterovirus 71 3C protease mutant E71A in complex with rupintrivir
Descriptor: 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S.
Deposit date:2011-03-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.039 Å)
Cite:Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
3QZQ
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BU of 3qzq by Molmil
Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir
Descriptor: 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S.
Deposit date:2011-03-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7001 Å)
Cite:Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
3R0F
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BU of 3r0f by Molmil
Human enterovirus 71 3C protease mutant H133G in complex with rupintrivir
Descriptor: 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S.
Deposit date:2011-03-08
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3083 Å)
Cite:Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
6JBH
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BU of 6jbh by Molmil
Cryo-EM structure and transport mechanism of a wall teichoic acid ABC transporter
Descriptor: TarG, TarH
Authors:Chen, L, Hou, W.T, Fan, T, Li, Y.H, Liu, B.H, Jiang, Y.L, Sun, L.F, Chen, Y, Zhou, C.Z.
Deposit date:2019-01-25
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Cryo-electron Microscopy Structure and Transport Mechanism of a Wall Teichoic Acid ABC Transporter.
Mbio, 11, 2020
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
Descriptor: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
Authors:Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
Deposit date:2020-12-10
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
8QMA
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BU of 8qma by Molmil
Structure of the plastid-encoded RNA polymerase complex (PEP) from Sinapis alba
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:do Prado, P.F.V, Ahrens, F.M, Pfannschmidt, T, Hillen, H.S.
Deposit date:2023-09-21
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the multi-subunit chloroplast RNA polymerase.
Mol.Cell, 84, 2024
7BJK
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BU of 7bjk by Molmil
Crystal structure of the chloroplastic Fe superoxide dismutase PAP9 from Arabidopsis thaliana.
Descriptor: Superoxide dismutase [Fe] 2, chloroplastic, ZINC ION
Authors:Cobessi, D, Blanvillain, R, Pfannschmidt, T.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Plastid-Encoded RNA Polymerase-Associated Protein PAP9 Is a Superoxide Dismutase With Unusual Structural Features.
Front Plant Sci, 12, 2021
5QTW
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BU of 5qtw by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTV
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BU of 5qtv by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTX
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BU of 5qtx by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTY
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BU of 5qty by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
6A71
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BU of 6a71 by Molmil
Crystal Structure of Human ATP7B and TM Complex
Descriptor: ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, W.B.
Deposit date:2018-06-30
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
6A72
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BU of 6a72 by Molmil
Copper transporter protein
Descriptor: ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum
Authors:Chen, W.B.
Deposit date:2018-07-01
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
8XC4
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BU of 8xc4 by Molmil
Nipah virus attachment glycoprotein head domain in complex with a broadly neutralizing antibody 1E5
Descriptor: 1E5-VH, 1E5-VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, P.F, Yu, C.M, Chen, W.
Deposit date:2023-12-08
Release date:2024-01-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8K0D
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BU of 8k0d by Molmil
Cryo-EM structure of conformation 2 of complex of Nipah virus attachment G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, The heavy chain of 1E5, The light chain of 1E5
Authors:Sun, M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8K0C
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BU of 8k0c by Molmil
Cryo-EM structure of conformation 1 of complex of Nipah virus attachment glycoprotein G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
Authors:Sun, M.M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8YWX
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BU of 8ywx by Molmil
the complex structure of the H4B6 Fab with the RBD of Omicron BA.5 S protein
Descriptor: H4B6 Fab's heavy chain, H4B6 Fab's light chain, Spike protein S2'
Authors:Xia, L.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2024-04-01
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A novel bispecific antibody targeting two overlapping epitopes in RBD improves neutralizing potency and breadth against SARS-CoV-2.
Emerg Microbes Infect, 13, 2024
8YWW
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BU of 8yww by Molmil
The structure of HKU1-B S protein with bsAb1
Descriptor: H4B6 heavy chain, H4B6 light chain, Spike glycoprotein, ...
Authors:Xia, L.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2024-04-01
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A novel bispecific antibody targeting two overlapping epitopes in RBD improves neutralizing potency and breadth against SARS-CoV-2.
Emerg Microbes Infect, 13, 2024
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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:2023-09-27
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
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020

 

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