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4OJ0
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BU of 4oj0 by Molmil
mCardinal V218E
Descriptor: Fluorescent protein FP480
Authors:Ataie, N, Ng, H.
Deposit date:2014-01-20
Release date:2014-03-19
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Non-invasive intravital imaging of cellular differentiation with a bright red-excitable fluorescent protein.
Nat.Methods, 11, 2014
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Descriptor: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
Authors:Jacobs, M.D.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
4QR8
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BU of 4qr8 by Molmil
Crystal Structure of E coli pepQ
Descriptor: MAGNESIUM ION, Xaa-Pro dipeptidase
Authors:Pingwei, L.
Deposit date:2014-06-30
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural basis of substrate selectivity of E. coli prolidase.
Plos One, 9, 2014
8GS1
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BU of 8gs1 by Molmil
Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485
Descriptor: Azi28, Azi29, FORMIC ACID, ...
Authors:Cheng, Y, Li, P, Liu, W, Fang, P.
Deposit date:2022-09-04
Release date:2023-09-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
4GS7
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BU of 4gs7 by Molmil
Structure of the Interleukin-15 quaternary complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ring, A.M, Ozkan, E, Feng, D, Garcia, K.C.
Deposit date:2012-08-27
Release date:2012-11-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15.
Nat.Immunol., 13, 2012
6K2D
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BU of 6k2d by Molmil
The crystal structure of GBP1 with LRR domain of IpaH9.8
Descriptor: E3 ubiquitin-protein ligase ipaH9.8, Guanylate-binding protein 1
Authors:Ji, C.G, Xiao, J.Y.
Deposit date:2019-05-14
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8.
Plos Pathog., 15, 2019
6KN9
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BU of 6kn9 by Molmil
Crystal structure of human interleukin 18 receptor beta extracellular domain in complex with an antagonistic scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-18 receptor accessory protein, ...
Authors:Wu, D.H, Liu, C.C.
Deposit date:2019-08-05
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:A Synthetic Human Antibody Antagonizes IL-18R beta Signaling Through an Allosteric Mechanism.
J.Mol.Biol., 432, 2020
4IKG
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BU of 4ikg by Molmil
Crystal structure of cell death-inducing DFFA-like effector c
Descriptor: Cell death activator CIDE-3, IODIDE ION
Authors:Yang, M, Gao, J.
Deposit date:2012-12-26
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9318 Å)
Cite:Perilipin1 promotes unilocular lipid droplet formation through the activation of Fsp27 in adipocytes.
Nat Commun, 4, 2013
4IDX
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BU of 4idx by Molmil
hexameric crystal structure of Schmallenberg virus nucleoprotein
Descriptor: Nucleocapsid protein
Authors:Dong, H, Dong, C.
Deposit date:2012-12-13
Release date:2013-04-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structure of Schmallenberg orthobunyavirus nucleoprotein suggests a novel mechanism of genome encapsidation
J.Virol., 87, 2013
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
Authors:Wang, H, Shi, Z, Zhou, Z.
Deposit date:2013-07-11
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
5XJL
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BU of 5xjl by Molmil
Crystal Structure of the Gemin2-binding domain of SMN, Gemin2 in Complex with SmD1/D2/F/E/G from Human
Descriptor: Gem-associated protein 2, Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, ...
Authors:Zhang, R.
Deposit date:2017-05-02
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a key intermediate of the SMN complex reveals Gemin2's crucial function in snRNP assembly
Cell, 146, 2011
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-30
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
7EVN
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BU of 7evn by Molmil
The cryo-EM structure of the DDX42-SF3b complex
Descriptor: ATP-dependent RNA helicase DDX42, PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, ...
Authors:Zhang, X, Zhan, X, Shi, Y.
Deposit date:2021-05-21
Release date:2022-08-03
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into branch site proofreading by human spliceosome
Nat.Struct.Mol.Biol., 2024
7EVO
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BU of 7evo by Molmil
The cryo-EM structure of the human 17S U2 snRNP
Descriptor: HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, RNA helicase, ...
Authors:Zhang, X, Zhan, X, Shi, Y.
Deposit date:2021-05-21
Release date:2022-08-03
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into branch site proofreading by human spliceosome
Nat.Struct.Mol.Biol., 2024
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPY
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BU of 7jpy by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ4
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BU of 7jq4 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ0
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BU of 7jq0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ1
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BU of 7jq1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
8DML
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BU of 8dml by Molmil
Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHENODEOXYCHOLIC ACID, ...
Authors:Tomchick, D.R, Orth, K, Zou, A.J.
Deposit date:2022-07-08
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Molecular determinants for differential activation of the bile acid receptor from the pathogen Vibrio parahaemolyticus.
J.Biol.Chem., 299, 2023
7UU9
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BU of 7uu9 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase nsp5
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023

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