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1NW1
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BU of 1nw1 by Molmil
Crystal Structure of Choline Kinase
Descriptor: CALCIUM ION, Choline kinase (49.2 kD)
Authors:Peisach, D, Gee, P, Kent, C, Xu, Z.
Deposit date:2003-02-05
Release date:2003-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold
Structure, 11, 2003
1OTN
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BU of 1otn by Molmil
Calcium-binding mutant of the Internalin B LRR domain
Descriptor: CALCIUM ION, Internalin B
Authors:Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P.
Deposit date:2003-03-21
Release date:2004-03-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
1OTM
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BU of 1otm by Molmil
Calcium-binding mutant of the internalin B LRR domain
Descriptor: internalin B
Authors:Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P.
Deposit date:2003-03-21
Release date:2004-03-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
1OTO
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BU of 1oto by Molmil
Calcium-binding mutant of the internalin B LRR domain
Descriptor: CALCIUM ION, Internalin B
Authors:Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P.
Deposit date:2003-03-21
Release date:2004-03-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
1LOY
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BU of 1loy by Molmil
X-ray structure of the H40A/E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate
Descriptor: CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1
Authors:Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S.
Deposit date:2002-05-07
Release date:2002-08-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
1LOW
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BU of 1low by Molmil
X-ray structure of the H40A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate
Descriptor: CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1
Authors:Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S.
Deposit date:2002-05-07
Release date:2002-08-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
1LOV
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BU of 1lov by Molmil
X-ray structure of the E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate
Descriptor: CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1
Authors:Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S.
Deposit date:2002-05-07
Release date:2002-08-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
1R4F
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BU of 1r4f by Molmil
Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma vivax: Trp260Ala Mutant In Complex With 3-Deaza-Adenosine
Descriptor: 3-DEAZA-ADENOSINE, CALCIUM ION, IAG-nucleoside hydrolase
Authors:Versees, W, Loverix, S, Vandemeulebroucke, A, Geerlings, P, Steyaert, J.
Deposit date:2003-10-06
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leaving group activation by aromatic stacking: an alternative to general Acid catalysis.
J.Mol.Biol., 338, 2004
5KRV
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BU of 5krv by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex Arginine
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ARGININE, ...
Authors:Ussin, N, Abdulsalam, R.W, Magee, P, Chruszcz, M.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
8DKN
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BU of 8dkn by Molmil
PPARg bound to T0070907 and Co-R peptide
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ...
Authors:Larsen, N.A, Tsai, J.
Deposit date:2022-07-05
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSZ
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BU of 8dsz by Molmil
PPARg bound to partial agonist H3B-487
Descriptor: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DKV
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BU of 8dkv by Molmil
PPARg bound to JTP-426467 and Co-R peptide
Descriptor: 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ...
Authors:Larsen, N.A.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSY
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BU of 8dsy by Molmil
PPARg bound to inverse agonist H3B-343
Descriptor: Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
7OPI
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BU of 7opi by Molmil
Structure of a minimal SF3B core in complex with the inactive modulator spliceostatin E (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Spliceostatin E (form I), Splicing factor 3B subunit 1, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-31
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7ONB
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BU of 7onb by Molmil
Structure of the U2 5' module of the A3'-SSA complex
Descriptor: MINX, PHD finger-like domain-containing protein 5A, RNU2, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-25
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7OMF
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BU of 7omf by Molmil
Structure of a minimal SF3B core in complex with sudemycin D6 (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-21
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
Descriptor: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Authors:Chopra, R, Vash, B.
Deposit date:2018-05-15
Release date:2019-04-03
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
7B0I
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BU of 7b0i by Molmil
Structure of a minimal SF3B core in complex with spliceostatin A (form II)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3,Splicing factor 3B subunit 3,Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-11-19
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7B9C
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BU of 7b9c by Molmil
Structure of a minimal SF3B core in complex with spliceostatin A (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-14
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7B92
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BU of 7b92 by Molmil
Structure of a minimal SF3B core in complex with sudemycin D6 (form II)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-14
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7B91
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BU of 7b91 by Molmil
Structure of a minimal SF3B core in complex with pladienolide D (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-13
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7KIA
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BU of 7kia by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19
Descriptor: 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ...
Authors:Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
Deposit date:2020-10-23
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
7KIE
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BU of 7kie by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3
Descriptor: CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ...
Authors:Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
Deposit date:2020-10-23
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
4UMX
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BU of 4umx by Molmil
IDH1 R132H in complex with cpd 1
Descriptor: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ...
Authors:Mathieu, M, Marquette, J.P.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
4UMY
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BU of 4umy by Molmil
IDH1 R132H in complex with cpd 1
Descriptor: GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McLean, L, Zhang, Y, Mathieu, M.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015

 

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