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PDB: 2914 results

6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
6L4U
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Structure of the PSI-FCPI supercomplex from diatom
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R.
Deposit date:2019-10-21
Release date:2020-05-20
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
6DQ5
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
6L4T
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BU of 6l4t by Molmil
Structure of the peripheral FCPI from diatom
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R.
Deposit date:2019-10-21
Release date:2020-05-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
4UQQ
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BU of 4uqq by Molmil
Electron density map of GluK2 desensitized state in complex with 2S,4R-4-methylglutamate
Descriptor: GLUTAMATE RECEPTOR IONOTROPIC, KAINATE 2, GLUTAMIC ACID
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-24
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
4W8S
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BU of 4w8s by Molmil
Crystal structure of truncated hemolysin A Q125S/Y134S from P. mirabilis at 1.5 Angstroms resolution
Descriptor: Hemolysin
Authors:Novak, W.R.P, Glasgow, E, Thompson, J.R, Weaver, T.M.
Deposit date:2014-08-26
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:Crystal structure of truncated hemolysin A Q125S/Y134S from P. mirabilis at 1.5 Angstroms resolution
To Be Published
4UQJ
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BU of 4uqj by Molmil
Cryo-EM density map of GluA2em in complex with ZK200775
Descriptor: GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-24
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
4W8T
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BU of 4w8t by Molmil
Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution
Descriptor: Hemolysin
Authors:Novak, W.R.P, Glasgow, E, Thompson, J.R, Weaver, T.M.
Deposit date:2014-08-26
Release date:2015-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution
To Be Published
5E6H
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BU of 5e6h by Molmil
A Linked Jumonji Domain of the KDM5A Lysine Demethylase
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2015-10-09
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases.
J.Biol.Chem., 291, 2016
4UQK
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BU of 4uqk by Molmil
Electron density map of GluA2em in complex with quisqualate and LY451646
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-24
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (16.4 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
5M4X
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BU of 5m4x by Molmil
Mutant glyceraldehyde dehydrogenase (F34M+Y399C+S405N) from Thermoplasma acidophilum
Descriptor: D-glyceraldehyde dehydrogenase (NADP(+))
Authors:Iermak, I, Mesters, J.R, Kuta Smatanova, I.
Deposit date:2016-10-19
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:Mutant glyceraldehyde dehydrogenase (F34M+Y399C+S405N) from Thermoplasma acidophilum
To Be Published
5LXW
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BU of 5lxw by Molmil
Atomic resolution X-ray crystal structure of cisplatin bound to hen egg white lysozyme stored for 5 years on the shelf
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-09-22
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Atomic resolution X-ray crystal structure of cisplatin bound to hen egg white lysozyme stored for 5 years 'on the shelf'
Zenodo, 2016
1MBL
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BU of 1mbl by Molmil
A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Knox, J.R, Moews, P.C.
Deposit date:1992-08-17
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant.
Protein Eng., 6, 1993
5MYI
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BU of 5myi by Molmil
Convergent evolution involving dimeric and trimeric dUTPases in signalling.
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A.
Deposit date:2017-01-26
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
PLoS Pathog., 13, 2017
5MYD
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BU of 5myd by Molmil
Convergent evolution involving dimeric and trimeric dUTPases in signalling.
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
Authors:Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A.
Deposit date:2017-01-26
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
PLoS Pathog., 13, 2017
5MYF
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BU of 5myf by Molmil
Convergent evolution involving dimeric and trimeric dUTPases in signalling.
Descriptor: dUTPase from DI S. aureus phage
Authors:Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A.
Deposit date:2017-01-26
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
PLoS Pathog., 13, 2017
5NZ2
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BU of 5nz2 by Molmil
Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
Authors:Alite, C, Humphrey, S, Donderis, J, Maiques, E, Ciges-Tomas, J.R, Penades, J.R, Marina, A.
Deposit date:2017-05-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 alpha dUTPase.
Sci Rep, 7, 2017
5NYZ
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BU of 5nyz by Molmil
Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
Authors:Alite, C, Humphrey, S, Donderis, J, Maiques, E, Ciges-Tomas, J.R, Penades, J.R, Marina, A.
Deposit date:2017-05-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 alpha dUTPase.
Sci Rep, 7, 2017
1LY4
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BU of 1ly4 by Molmil
Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase
Descriptor: 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
Deposit date:2002-06-06
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
6OX0
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BU of 6ox0 by Molmil
SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
1M6K
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BU of 1m6k by Molmil
Structure of the OXA-1 class D beta-lactamase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase OXA-1
Authors:Sun, T, Nukaga, M, Mayama, K, Braswell, E.H, Knox, J.R.
Deposit date:2002-07-16
Release date:2003-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of beta-lactamases of classes A and D: 1.5A crystallographic structure of the class D OXA-1 oxacillinase
PROTEIN SCI., 12, 2003
1LY3
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BU of 1ly3 by Molmil
ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE
Descriptor: 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
Deposit date:2002-06-06
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
3T6N
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BU of 3t6n by Molmil
Crystal Structure of Transcriptional Regulator
Descriptor: Transcriptional regulator
Authors:Do, S.V, Bolla, J.R, Chen, X, Yu, E.W.
Deposit date:2011-07-28
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Crystal Structure of the Rv3066 Transcriptional Regulator from Mycobacterium tuberculosis
To be Published
4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Descriptor: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
Authors:Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
Deposit date:2014-11-04
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015

225946

数据于2024-10-09公开中

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