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PDB: 749 results

4O0R
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BU of 4o0r by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Descriptor: PF-3758309, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Tam, C, Wang, W.
Deposit date:2013-12-14
Release date:2014-02-12
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
7YMI
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BU of 7ymi by Molmil
PSII-Pcb Dimer of Acaryochloris Marina
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Shen, L.L, Gao, Y.Z, Wang, W.D, Zhang, X, Shen, J.R, Wang, P.Y, Han, G.Y.
Deposit date:2022-07-28
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a large photosystem II supercomplex from Acaryochloris marina.
To Be Published
4QYN
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BU of 4qyn by Molmil
The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinol
Descriptor: ACETATE ION, RETINOL, Retinol-binding protein 2
Authors:Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H.
Deposit date:2014-07-24
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
4TNX
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BU of 4tnx by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
7CSX
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BU of 7csx by Molmil
Crystal structure of the N-terminal tandem RRM domains of RBM45
Descriptor: RNA-binding protein 45
Authors:Chen, X, Yang, Z, Wang, W, Wang, M.
Deposit date:2020-08-17
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
7WMZ
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BU of 7wmz by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.916 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMX
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BU of 7wmx by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5,10-methylenetetrahydrofolate
Descriptor: Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMY
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BU of 7wmy by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5-methyltetrahydrofolate
Descriptor: methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.266 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMW
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BU of 7wmw by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis
Descriptor: Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7Y86
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BU of 7y86 by Molmil
CcpS mutant
Descriptor: UPF0297 protein A7J08_00425
Authors:Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
Deposit date:2022-06-22
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
7Y8Z
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BU of 7y8z by Molmil
CcpS
Descriptor: UPF0297 protein A7J08_00425
Authors:Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
Deposit date:2022-06-24
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
6JFB
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BU of 6jfb by Molmil
Crystal structure of human pyruvate kinase M2 isoform
Descriptor: PHOSPHATE ION, Pyruvate kinase PKM Isoform M2, SERINE
Authors:Chen, T.J, Wang, W.C.
Deposit date:2019-02-08
Release date:2020-04-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of human pyruvate kinase M2 isoform
To Be Published
7EOZ
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BU of 7eoz by Molmil
The structure of rice Defective Pollen Wall (DPW) in the complex with its cofactor NADP
Descriptor: Fatty acyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Yan, L.M, Wang, W, Li, G, Wang, J.
Deposit date:2021-04-24
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Defective Pollen Wall Bridges Lipid and Sugar Metabolisms in Plant Male Reproductive Development
To Be Published
7CSZ
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BU of 7csz by Molmil
Crystal structure of the N-terminal tandem RRM domains of RBM45 in complex with single-stranded DNA
Descriptor: DNA (5'-D(*CP*GP*AP*CP*GP*GP*GP*AP*CP*GP*C)-3'), RNA-binding protein 45
Authors:Chen, X, Yang, Z, Wang, W, Wang, M.
Deposit date:2020-08-17
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
7VR2
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BU of 7vr2 by Molmil
Crystal structure of (-)-pulegone reductase PR1292 from Nepeta tenuifolia
Descriptor: (-)-pulegone reductase PR1292 from Nepeta tenuifolia
Authors:Lin, W, Wang, W.W.
Deposit date:2021-10-21
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of (-)-pulegone reductase PR1292 from Nepeta tenuifolia
To Be Published
7VR4
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BU of 7vr4 by Molmil
Crystal structure of (-)-pulegone reductase PR1294 from Nepeta tenuifolia in complex with NADPH
Descriptor: (-)-pulegone reductase PR1294 from Nepeta tenuifolia in complex with NADPH, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, W, Wang, W.W.
Deposit date:2021-10-21
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of (-)-pulegone reductase PR1294 from Nepeta tenuifolia in complex with NADPH
To Be Published
6ZRT
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BU of 6zrt by Molmil
Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease
Authors:Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
Deposit date:2020-07-14
Release date:2020-08-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
6ZRU
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BU of 6zru by Molmil
Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir
Descriptor: DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form)
Authors:Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
Deposit date:2020-07-14
Release date:2020-08-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
7WIC
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BU of 7wic by Molmil
Cryo-EM structure of the SS-14-bound human SSTR2-Gi1 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Chen, L, Wang, W, Dong, Y, Shen, D, Guo, J, Qin, J, Zhang, H, Shen, Q, Zhang, Y, Mao, C.
Deposit date:2022-01-03
Release date:2022-06-01
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes.
Cell Res., 32, 2022
7WIG
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BU of 7wig by Molmil
Cryo-EM structure of the L-054,264-bound human SSTR2-Gi1 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Chen, L, Wang, W, Dong, Y, Shen, D, Guo, J, Qin, J, Zhang, H, Shen, Q, Zhang, Y, Mao, C.
Deposit date:2022-01-03
Release date:2022-06-01
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes.
Cell Res., 32, 2022
7XW0
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BU of 7xw0 by Molmil
Crystal structure of pOmpT
Descriptor: OmpT
Authors:Jiang, L.Y, Ran, T.T, Gao, S, Wang, W.W.
Deposit date:2022-05-25
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of pOmpT
To Be Published
7F77
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BU of 7f77 by Molmil
Crystal structure of glutamate dehydrogenase 3 from Candida albicans
Descriptor: Glutamate dehydrogenase
Authors:Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M.
Deposit date:2021-06-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.086 Å)
Cite:Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
7XQP
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BU of 7xqp by Molmil
PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Zhang, S, Tang, K.L, Li, X.Y, Wang, W.D, Yan, Q.J, Shen, L.L, Kuang, T.Y, Han, G.Y, Shen, J.R, Zhang, X.
Deposit date:2022-05-08
Release date:2023-04-26
Last modified:2023-06-07
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural insights into a unique PSI-LHCI-LHCII-Lhcb9 supercomplex from moss Physcomitrium patens.
Nat.Plants, 9, 2023
4FPX
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BU of 4fpx by Molmil
Crystal Structure of Shikimate Dehydrogenase (aroE) Q237N Mutant from Helicobacter pylori
Descriptor: Shikimate dehydrogenase
Authors:Cheng, W.C, Chen, T.J, Wang, W.C.
Deposit date:2012-06-23
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:

7CLU
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BU of 7clu by Molmil
PigF with SAH
Descriptor: ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein
Authors:Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
Deposit date:2020-07-22
Release date:2021-07-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022

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