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7XHO
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BU of 7xho by Molmil
Structure of human inner kinetochore CCAN complex
Descriptor: CENP-W, Centromere protein C, Centromere protein H, ...
Authors:Tian, T, Wang, C.L, Yang, Z.S, Sun, L.F, Zang, J.Y.
Deposit date:2022-04-09
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
7XHN
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BU of 7xhn by Molmil
Structure of human inner kinetochore CCAN-DNA complex
Descriptor: CENP-W, Centromere protein C, Centromere protein H, ...
Authors:Sun, L.F, Tian, T, Wang, C.L, Yang, Z.S, Zang, J.Y.
Deposit date:2022-04-09
Release date:2023-01-25
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
9BF1
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BU of 9bf1 by Molmil
Structure of apo-state V. cholerae DdmD
Descriptor: Helicase/UvrB N-terminal domain-containing protein
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2024-04-16
Release date:2024-08-21
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:DdmDE eliminates plasmid invasion by DNA-guided DNA targeting.
Cell, 187, 2024
9BGK
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BU of 9bgk by Molmil
Structure of V.cholera DdmDE (2D:1E) in complex with DNA
Descriptor: DdmE, Helicase/UvrB N-terminal domain-containing protein, MAGNESIUM ION, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2024-04-19
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:DdmDE eliminates plasmid invasion by DNA-guided DNA targeting.
Cell, 187, 2024
9BCT
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BU of 9bct by Molmil
Cryo-EM structure of Thermococcus kodakarensis FttA-dependent transcription pre-termination complex containing 44 nt RNA
Descriptor: DNA-directed RNA polymerase subunit A", DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit B, ...
Authors:You, L, Ebright, R.H.
Deposit date:2024-04-09
Release date:2024-07-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis of archaeal FttA-dependent transcription termination.
Nature, 2024
9CC8
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BU of 9cc8 by Molmil
Hexameric state of the NRC4 resistosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, NLR-required for cell death 4
Authors:Liu, F, Yang, Z, Nogales, E, Staskawicz, B.J.
Deposit date:2024-06-21
Release date:2024-09-11
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Activation of the helper NRC4 immune receptor forms a hexameric resistosome.
Cell, 187, 2024
9CC9
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BU of 9cc9 by Molmil
Dodecameric state of the NRC4 resistosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, NLR-required for cell death 4
Authors:Liu, F, Yang, Z, Nogales, E, Staskawicz, B.J.
Deposit date:2024-06-21
Release date:2024-09-11
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Activation of the helper NRC4 immune receptor forms a hexameric resistosome.
Cell, 187, 2024
9BF5
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BU of 9bf5 by Molmil
Structure of V. cholerae DdmD in complex with ssDNA
Descriptor: Helicase/UvrB N-terminal domain-containing protein, ssDNA1, ssDNA2
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2024-04-16
Release date:2024-09-04
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:DdmDE eliminates plasmid invasion by DNA-guided DNA targeting.
Cell, 187, 2024
9BCU
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BU of 9bcu by Molmil
Cryo-EM structure of Thermococcus kodakarensis FttA-dependent transcription pre-termination complex containing 52 nt RNA
Descriptor: DNA-directed RNA polymerase subunit A", DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit B, ...
Authors:You, L, Ebright, R.H.
Deposit date:2024-04-09
Release date:2024-07-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis of archaeal FttA-dependent transcription termination.
Nature, 2024
9C6Q
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BU of 9c6q by Molmil
Structure of V. cholerae monomeric DdmD bound with ssDNA
Descriptor: Helicase/UvrB N-terminal domain-containing protein, ssDNA
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2024-06-08
Release date:2024-08-21
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:DdmDE eliminates plasmid invasion by DNA-guided DNA targeting.
Cell, 187, 2024
8DKC
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BU of 8dkc by Molmil
P. gingivalis RNA Polymerase
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Liu, B, Bu, F.
Deposit date:2022-07-05
Release date:2023-06-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM Structure of Porphyromonas gingivalis RNA Polymerase.
J.Mol.Biol., 436, 2024
5QTT
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BU of 5qtt by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-10-16
Release date:2019-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
5QTU
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BU of 5qtu by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-10-16
Release date:2019-12-25
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
8EJX
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BU of 8ejx by Molmil
Crystal structure of human cyclophilin D (CypD) with in complex with the covalently bound Ebselen inhibitor
Descriptor: N-phenyl-2-selanylbenzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Lovell, S, Battaile, K.P, Yan, S.
Deposit date:2022-09-19
Release date:2023-10-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New cyclophilin D inhibitor rescues mitochondrial and cognitive function in Alzheimer's disease.
Brain, 147, 2024
5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5BOE
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BU of 5boe by Molmil
Crystal structure of Staphylococcus aureus enolase in complex with PEP
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Wang, C.L, Wu, Y.F, Han, L, Wu, M.H, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate
Acta Crystallogr.,Sect.D, 71, 2015
5BOF
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BU of 5bof by Molmil
Crystal Structure of Staphylococcus aureus Enolase
Descriptor: Enolase, MAGNESIUM ION, SULFATE ION
Authors:Wu, Y.F, Wang, C.L, Wu, M.H, Han, L, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate.
Acta Crystallogr.,Sect.D, 71, 2015
3RY7
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BU of 3ry7 by Molmil
Crystal Structure of Sa239
Descriptor: GLYCEROL, Ribokinase
Authors:Li, J, Wu, M, Wang, L, Zang, J.
Deposit date:2011-05-11
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Sa239 reveals the structural basis for the activation of ribokinase by monovalent cations.
J.Struct.Biol., 177, 2012
5QQP
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BU of 5qqp by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
5QQO
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BU of 5qqo by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ...
Authors:Sheriff, S.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
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:2024-10-23
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:2024-10-23
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:2024-10-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020

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