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6KIK
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BU of 6kik by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat
Descriptor: Oxidoreductase, aldo/keto reductase family, TOLRESTAT
Authors:Zhang, C.Y, Liu, X.M, Wang, C, Tang, W.R.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
6KIY
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BU of 6kiy by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, aldo/keto reductase family, ...
Authors:Zhang, C.Y, Liu, X.M, Wang, C, Min, Z.Z, Xu, X.L.
Deposit date:2019-07-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
Authors:Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
Deposit date:2019-07-25
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
6JUH
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BU of 6juh by Molmil
structure of CavAb in complex with efonidipine
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ...
Authors:Tang, L, Xu, F.
Deposit date:2019-04-13
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for efonidipine block of a voltage-gated Ca2+channel.
Biochem.Biophys.Res.Commun., 513, 2019
6KY6
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BU of 6ky6 by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc
Descriptor: 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R.
Deposit date:2019-09-16
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
4XDP
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BU of 4xdp by Molmil
Crystal structure of human KDM4C catalytic domain bound to tris
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Swinger, K.K, Boriack-Sjodin, P.A.
Deposit date:2014-12-19
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
4XDO
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BU of 4xdo by Molmil
Crystal structure of human KDM4C catalytic domain with OGA
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ...
Authors:Swinger, K.K, Boriack-Sjodin, P.A.
Deposit date:2014-12-19
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
4TJX
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BU of 4tjx by Molmil
Crystal structure of protease-associated domain of Arabidopsis VSR1 in complex with aleurain peptide
Descriptor: Aleurain peptide, Vacuolar-sorting receptor 1
Authors:Luo, F, Fong, Y.H, Jiang, L.W, Wong, K.B.
Deposit date:2014-05-25
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:How vacuolar sorting receptor proteins interact with their cargo proteins: crystal structures of apo and cargo-bound forms of the protease-associated domain from an Arabidopsis vacuolar sorting receptor.
Plant Cell, 26, 2014
4TJV
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BU of 4tjv by Molmil
Crystal structure of protease-associated domain of Arabidopsis vacuolar sorting receptor 1
Descriptor: IODIDE ION, Vacuolar-sorting receptor 1
Authors:Luo, F, Fong, Y.H, Jiang, L.W, Wong, K.B.
Deposit date:2014-05-25
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:How vacuolar sorting receptor proteins interact with their cargo proteins: crystal structures of apo and cargo-bound forms of the protease-associated domain from an Arabidopsis vacuolar sorting receptor.
Plant Cell, 26, 2014
4U3B
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BU of 4u3b by Molmil
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
Descriptor: 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide, CHLORIDE ION, IMIDAZOLE, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXG
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BU of 7mxg by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXC
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BU of 7mxc by Molmil
PRMT5:MEP50 complexed with adenosine
Descriptor: ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
4U3D
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BU of 4u3d by Molmil
LpxC from A.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl)phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydroxamic acid (compound 9)
Descriptor: CHLORIDE ION, IMIDAZOLE, N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
6S3R
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BU of 6s3r by Molmil
Structure of the FliPQR complex from the flagellar type 3 secretion system of Pseudomonas savastanoi.
Descriptor: Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR
Authors:Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M.
Deposit date:2019-06-25
Release date:2020-03-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
6SNR
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BU of 6snr by Molmil
Crystal structure of FemX
Descriptor: Lipid II:glycine glycyltransferase
Authors:Fulop, V, Hinxman, K.
Deposit date:2019-08-27
Release date:2020-09-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-based modeling and dynamics of MurM, a Streptococcus pneumoniae penicillin resistance determinant present at the cytoplasmic membrane.
Structure, 29, 2021
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
Descriptor: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
Authors:Campagne, S, Allain, F.H.
Deposit date:2019-08-26
Release date:2020-10-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R, Picard, M.-E, Manenda, M.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R, Picard, M.-E, Manenda, M.S.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MY5
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BU of 6my5 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6S3S
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BU of 6s3s by Molmil
Structure of the FliPQR complex from the flagellar type 3 secretion system of Vibrio mimicus.
Descriptor: Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR
Authors:Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M.
Deposit date:2019-06-25
Release date:2020-03-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020

222624

数据于2024-07-17公开中

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