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6ITM
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BU of 6itm by Molmil
Crystal structure of FXR in complex with agonist XJ034
Descriptor: 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1
Authors:Zhang, H, Wang, Z.
Deposit date:2018-11-23
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
6T5B
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BU of 6t5b by Molmil
KRasG12C ligand complex
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Phillips, C.
Deposit date:2019-10-15
Release date:2020-02-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6T5U
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BU of 6t5u by Molmil
KRasG12C ligand complex
Descriptor: 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Phillips, C.
Deposit date:2019-10-17
Release date:2020-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6T5V
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BU of 6t5v by Molmil
KRasG12C ligand complex
Descriptor: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Phillips, C.
Deposit date:2019-10-17
Release date:2020-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
3SQJ
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BU of 3sqj by Molmil
Recombinant human serum albumin from transgenic plant
Descriptor: MYRISTIC ACID, Serum albumin
Authors:He, Y, Yang, D.
Deposit date:2011-07-05
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Large-scale production of functional human serum albumin from transgenic rice seeds.
Proc.Natl.Acad.Sci.USA, 108, 2011
6K9P
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BU of 6k9p by Molmil
Structure of Deubiquitinase
Descriptor: Ubiquitin, Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-17
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6K9N
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BU of 6k9n by Molmil
Rice_OTUB_like_catalytic domain
Descriptor: Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-17
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6KBE
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BU of 6kbe by Molmil
Structure of Deubiquitinase
Descriptor: Polyubiquitin-C, Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-24
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.339 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
3U3S
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BU of 3u3s by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
3U3Q
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BU of 3u3q by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
4NG2
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BU of 4ng2 by Molmil
Crystal structure of LasR LBD-QslA complex from Pseudomonas aeruginosa
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, Transcriptional activator protein LasR, Uncharacterized protein
Authors:Fan, H, Wu, D.H, Song, H.
Deposit date:2013-11-01
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:QsIA disrupts LasR dimerization in antiactivation of bacterial quorum sensing
Proc.Natl.Acad.Sci.USA, 110, 2013
4ONC
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BU of 4onc by Molmil
Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640
Descriptor: Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
Authors:Feng, X, Chan, H.C, Ko, T.P.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis
J.Am.Chem.Soc., 136, 2014
4OPN
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BU of 4opn by Molmil
Crystal structure of mouse glyoxalase I complexed with mAH
Descriptor: L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Zhang, L, Yuan, M, Zhang, H.
Deposit date:2014-02-06
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reversible Inhibition of Glyoxalase I: Synthesis and Activity Evaluation
To be Published
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
Authors:Du, X.X, Lei, X.G.
Deposit date:2019-03-31
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
6JYT
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BU of 6jyt by Molmil
Delicate structural coordination of the Severe Acute Respiratory Syndrome coronavirus Nsp13 upon ATP hydrolysis
Descriptor: Helicase, ZINC ION
Authors:Yan, L, Jia, Z.
Deposit date:2019-04-28
Release date:2019-09-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Delicate structural coordination of the Severe Acute Respiratory Syndrome coronavirus Nsp13 upon ATP hydrolysis.
Nucleic Acids Res., 47, 2019
8DQA
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BU of 8dqa by Molmil
Structure of A. thaliana MIF/D-DT-like protein-3 (MDL3)
Descriptor: LS1-like protein
Authors:Manjula, R, Basquin, J, Lolis, E.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Plant MDL proteins synergize with the cytokine MIF at CXCR2 and CXCR4 receptors in human cells.
Sci.Signal., 16, 2023
8DQ6
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BU of 8dq6 by Molmil
Structure of A. thaliana MIF/D-DT-like protein-1 (MDL1)
Descriptor: CALCIUM ION, MIF/D-DT-like protein-1
Authors:Manjula, R, Basquin, J, Lolis, E.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Plant MDL proteins synergize with the cytokine MIF at CXCR2 and CXCR4 receptors in human cells.
Sci.Signal., 16, 2023
7VJN
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BU of 7vjn by Molmil
Crystal structure of anti-CRISPR-associated protein Aca1 in Pseudomonas phage JBD30
Descriptor: anti-CRISPR-associated protein Aca1
Authors:Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D.
Deposit date:2021-09-28
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
7VJM
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BU of 7vjm by Molmil
Aca1 in complex with 19bp palindromic DNA substrate
Descriptor: DNA (5'-D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP*GP*CP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*GP*CP*AP*CP*AP*AP*TP*GP*TP*GP*CP*CP*TP*AP*A)-3'), anti-CRISPR-associated protein Aca1
Authors:Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D.
Deposit date:2021-09-28
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
7VJQ
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BU of 7vjq by Molmil
Pectobacterium phage ZF40 apo-aca2 complexed with 26bp DNA substrate
Descriptor: CHLORIDE ION, DNA (27-MER), GLYCEROL, ...
Authors:Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D.
Deposit date:2021-09-28
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
7VJO
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BU of 7vjo by Molmil
Pectobacterium phage ZF40 apo-Aca2
Descriptor: CHLORIDE ION, MAGNESIUM ION, anti-CRISPR-associated protein Aca2
Authors:Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D.
Deposit date:2021-09-28
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
7VJP
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BU of 7vjp by Molmil
Selenomethionine-derived Pectobacterium phage ZF40 apo-Aca2
Descriptor: SULFATE ION, anti-CRISPR-associated protein Aca2
Authors:Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D.
Deposit date:2021-09-28
Release date:2021-10-20
Last modified:2022-02-02
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-24
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-23
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024

223532

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