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3V8S
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BU of 3v8s by Molmil
Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18)
Descriptor: 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea, Rho-associated protein kinase 1
Authors:Martin, M.P, Zhu, J.-Yi, Schonbrunn, E.
Deposit date:2011-12-23
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors.
J.Med.Chem., 55, 2012
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
Descriptor: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
Authors:Wang, J.W.
Deposit date:2022-11-12
Release date:2023-02-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
7WBZ
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BU of 7wbz by Molmil
Crystal structure of the SARS-Cov-2 RBD in complex with Fab 2303
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2303 heavy chain, 2303 light chain, ...
Authors:Xiang, Y, Ma, B.
Deposit date:2021-12-17
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Conformational flexibility in neutralization of SARS-CoV-2 by naturally elicited anti-SARS-CoV-2 antibodies.
Commun Biol, 5, 2022
7W9S
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BU of 7w9s by Molmil
Crystal structure of the enterovirus 71 polymerase elongation complex (C1S3 form)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ...
Authors:Wang, M, Gong, P.
Deposit date:2021-12-10
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of a pre-chemistry viral RNA-dependent RNA polymerase suggests participation of two basic residues in catalysis.
Nucleic Acids Res., 50, 2022
8HGG
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BU of 8hgg by Molmil
Structure of 2:2 PAPP-A.ProMBP complex
Descriptor: Bone marrow proteoglycan, Pappalysin-1, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HDJ
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BU of 8hdj by Molmil
Periplasmic domain of RsgI2 of Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI2, Periplasmic domain of RsgI2
Authors:Chen, C, Dong, S, Feng, Y.G.
Deposit date:2022-11-04
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HER
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BU of 8her by Molmil
Solution structure of the periplasmic domain of RsgI6 from Clostridium thermocellum
Descriptor: Anti-sigma factor
Authors:Chen, C, Feng, Y.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HEP
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BU of 8hep by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
Descriptor: Anti-sigma factor
Authors:Chen, C, Feng, Y.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HEQ
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BU of 8heq by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI2 from Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI2
Authors:Chen, C, Feng, Y.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
4X3X
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BU of 4x3x by Molmil
The crystal structure of Arc C-lobe
Descriptor: Activity-regulated cytoskeleton-associated protein
Authors:Zhang, W, Ward, M, Leahy, D, Worley, P.
Deposit date:2014-12-01
Release date:2015-06-03
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-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 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
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 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8YKA
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BU of 8yka by Molmil
Cryo-EM structure of P97-VCPIP1 complex
Descriptor: Deubiquitinating protein VCPIP1, Transitional endoplasmic reticulum ATPase
Authors:Liu, Y, Lu, P, Gao, H, Li, F.
Deposit date:2024-03-04
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Molecular Basis of VCPIP1 and P97/VCP Interaction Reveals Its Functions in Post-Mitotic Golgi Reassembly.
Adv Sci, 2024
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
Descriptor: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
Authors:Smith, E.W, Chen, Y.
Deposit date:2014-08-09
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
7QOX
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BU of 7qox by Molmil
Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J.
Deposit date:2021-12-29
Release date:2023-01-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
7QOT
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BU of 7qot by Molmil
Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ...
Authors:Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J.
Deposit date:2021-12-28
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
8HGH
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BU of 8hgh by Molmil
Structure of 2:2 PAPP-A.STC2 complex
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
5ZWK
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BU of 5zwk by Molmil
Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Yunyuan, H, Zeyuan, G, Junjie, Y, Ping, Y, Jian, W.
Deposit date:2018-05-15
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Location of FBPase catalytic metal binding site: a combined experimental and theoretical study
To Be Published
6AH7
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BU of 6ah7 by Molmil
D45W/H226G mutant of marine bacterial prolidase
Descriptor: MANGANESE (II) ION, SODIUM ION, SULFATE ION, ...
Authors:Jian, Y, Yunzhu, X, Lijuan, L.
Deposit date:2018-08-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
6DWO
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BU of 6dwo by Molmil
Crystal structure of alpha-1-2-mannosidase from Enterococcus faecalis V583
Descriptor: ACETATE ION, Alpha-1,2-mannosidase, CALCIUM ION, ...
Authors:Fisher, A.J, Li, Y.
Deposit date:2018-06-26
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enterococcus faecalis alpha 1-2-mannosidase (EfMan-I): an efficient catalyst for glycoprotein N-glycan modification.
Febs Lett., 594, 2020
6CDY
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BU of 6cdy by Molmil
Crystal structure of TEAD complexed with its inhibitor
Descriptor: 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4
Authors:LIU, S, HAN, X, LUO, X.
Deposit date:2018-02-09
Release date:2020-07-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription.
Cell Stem Cell, 26, 2020
6JIF
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BU of 6jif by Molmil
Crystal Structures of Branched-Chain Aminotransferase from Pseudomonas sp. UW4
Descriptor: Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zheng, X, Guo, L, Li, D.F, Wu, B.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural characterization of a highly active branched-chain amino acid aminotransferase from Pseudomonas sp. for efficient biosynthesis of chiral amino acids.
Appl.Microbiol.Biotechnol., 103, 2019
3JAC
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BU of 3jac by Molmil
Cryo-EM study of a channel
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Ge, J, Li, W, Zhao, Q, Li, N, Xiao, B, Gao, N, Yang, M.
Deposit date:2015-06-05
Release date:2015-09-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Architecture of the mammalian mechanosensitive Piezo1 channel
Nature, 527, 2015
6AXQ
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BU of 6axq by Molmil
CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
Descriptor: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
Authors:Murray, J.M, Jayaram, H.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
Descriptor: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017

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數據於2024-10-16公開中

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