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5Q0D
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BU of 5q0d by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0F
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BU of 5q0f by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-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:2017-05-01
Release date:2017-07-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0H
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BU of 5q0h by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-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:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
8JPA
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BU of 8jpa by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2023-06-11
Release date:2023-06-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
1AUV
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BU of 1auv by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN
Descriptor: SYNAPSIN IA
Authors:Esser, L, Wang, C, Deisenhofer, J.
Deposit date:1997-09-02
Release date:1998-03-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
7YOV
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BU of 7yov by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
Descriptor: NDV P protein, RNA-directed RNA polymerase L
Authors:Chen, Y, Jingyuan, C, Xiaoying, F.
Deposit date:2022-08-02
Release date:2023-02-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7YOT
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BU of 7yot by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
Descriptor: NDV P protein, RNA-directed RNA polymerase L
Authors:Chen, Y, Jingyuan, C.
Deposit date:2022-08-02
Release date:2023-02-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7YOU
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BU of 7you by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
Descriptor: NDV P protein, RNA-directed RNA polymerase L
Authors:Chen, Y, Jingyuan, C, Xiaoying, F.
Deposit date:2022-08-02
Release date:2023-02-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
1AUX
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BU of 1aux by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND
Descriptor: CALCIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SYNAPSIN IA
Authors:Esser, L, Wang, C, Deisenhofer, J.
Deposit date:1997-09-06
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
5Q0E
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BU of 5q0e by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
8WJQ
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BU of 8wjq by Molmil
Cryo-EM structure of URAT1(R477S)-Urate complex
Descriptor: Solute carrier family 22 member 12, URIC ACID
Authors:Qian, H.W, He, J.J.
Deposit date:2023-09-26
Release date:2024-08-28
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
8WJH
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BU of 8wjh by Molmil
Cryo-EM structure of OAT4
Descriptor: CHLORIDE ION, Solute carrier family 22 member 11
Authors:Qian, H.W, He, J.J.
Deposit date:2023-09-26
Release date:2024-08-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
8WJG
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BU of 8wjg by Molmil
Cryo-EM structure of URAT1(R477S)
Descriptor: Solute carrier family 22 member 12
Authors:Qian, H.W, He, J.J.
Deposit date:2023-09-25
Release date:2024-08-28
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
5Q0G
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BU of 5q0g by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
4DRX
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BU of 4drx by Molmil
GTP-Tubulin in complex with a DARPIN
Descriptor: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pecqueur, L, Gigant, B, Knossow, M.
Deposit date:2012-02-17
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A designed ankyrin repeat protein selected to bind to tubulin caps the microtubule plus end.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
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
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:2023-09-27
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
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2021-08-18
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
6VAJ
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BU of 6vaj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-12-17
Release date:2020-12-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
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
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
7KLZ
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BU of 7klz by Molmil
Structure of SPOP MATH domain in complex with a Geminin peptide
Descriptor: Geminin peptide, PHOSPHATE ION, Speckle-type POZ protein
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2020-11-01
Release date:2021-08-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:SPOP mutation induces replication over-firing by impairing Geminin ubiquitination and triggers replication catastrophe upon ATR inhibition.
Nat Commun, 12, 2021
4LNU
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BU of 4lnu by Molmil
Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ...
Authors:Cao, L, Gigant, B, Knossow, M.
Deposit date:2013-07-12
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement
Nat Commun, 5, 2014
8XAI
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BU of 8xai by Molmil
Crystal structure of Protease CPAVM1 in Bacillus subtilis LjM2
Descriptor: Lipoprotein
Authors:Zhang, J, Wang, C.Y.
Deposit date:2023-12-04
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Anti-influenza activity of CPAVM1 protease secreted by Bacillus subtilis LjM2.
Antiviral Res., 228, 2024

226707

数据于2024-10-30公开中

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