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3SSJ
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BU of 3ssj by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
Descriptor: 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-07-08
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
To be Published
6U7A
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BU of 6u7a by Molmil
Rv3722c in complex with kynurenine
Descriptor: (2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-hydroxyquinoline-2-carboxylic acid, ...
Authors:Mandyoli, L, Sacchettini, J.
Deposit date:2019-09-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
4YTF
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BU of 4ytf by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2
Authors:Farmer, L, Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4E3R
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BU of 4e3r by Molmil
PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis
Descriptor: Pyruvate transaminase, SODIUM ION, SULFATE ION
Authors:Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
Deposit date:2012-03-10
Release date:2012-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
4MA7
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BU of 4ma7 by Molmil
Crystal structure of mouse prion protein complexed with Promazine
Descriptor: Major prion protein, POM1 heavy chain, POM1 light chain, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2013-08-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of prion inhibition by phenothiazine compounds.
Structure, 22, 2014
3THQ
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BU of 3thq by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-08-19
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
To be Published
6Z0S
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BU of 6z0s by Molmil
Allostery through DNA drives phenotype switching
Descriptor: comG promoter DNA - strand A, comG promoter DNA - strand B
Authors:Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H.
Deposit date:2020-05-11
Release date:2021-04-07
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Allostery through DNA drives phenotype switching.
Nat Commun, 12, 2021
7RNI
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BU of 7rni by Molmil
Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
Descriptor: ACETYL GROUP, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hruza, A, Strickland, C.L.
Deposit date:2021-07-29
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen.
ACS Med Chem Lett, 12, 2021
7RN5
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BU of 7rn5 by Molmil
Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
Descriptor: ACETYL GROUP, MAGNESIUM ION, PYROPHOSPHATE, ...
Authors:Hruza, A, Strickland, C.L.
Deposit date:2021-07-29
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen.
ACS Med Chem Lett, 12, 2021
5VIU
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BU of 5viu by Molmil
Crystal Structure of Acetylornithine Aminotransferase from Elizabethkingia anophelis
Descriptor: 1,2-ETHANEDIOL, Acetylornithine aminotransferase, CITRIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-17
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Acetylornithine Aminotransferase from Elizabethkingia anophelis
to be published
5VF1
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BU of 5vf1 by Molmil
X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic Beta-Sheet Containing ABeta16-22
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-GLU-ALA-PHE-MEA-VAL-LEU-LYS
Authors:Chen, K.H, Corro, K.A, Le, S.P, Nowick, J.S.
Deposit date:2017-04-06
Release date:2017-06-21
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic beta-Sheet Containing A beta 16-22.
J. Am. Chem. Soc., 139, 2017
3N5M
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BU of 3n5m by Molmil
Crystals structure of a Bacillus anthracis aminotransferase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, SULFATE ION
Authors:Anderson, S.M, Wawrzak, Z, DiLeo, R, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-25
Release date:2010-06-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystals structure of a Bacillus anthracis aminotransferase
TO BE PUBLISHED
3SGU
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BU of 3sgu by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-UMP
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-06-15
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-UMP
To be Published
5ESB
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BU of 5esb by Molmil
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir
Descriptor: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ...
Authors:Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A.
Deposit date:2015-11-16
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
4TM5
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BU of 4tm5 by Molmil
X-ray crystal structure of a D-amino acid aminotransferase from Burkholderia thailandensis E264 bound to the co-factor pyridoxal phosphate
Descriptor: D-amino acid aminotransferase
Authors:Fairman, J.W, Taylor, B.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-05-31
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:X-ray crystal structure of a D-amino acid aminotransferase from Burkholderia thailandensis E264 bound to the co-factor pyridoxal phosphate
To Be Published
6R7G
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BU of 6r7g by Molmil
Atomic structure of potato virus X, the prototype of the Alphaflexiviridae family
Descriptor: Coat protein, polyU RNA
Authors:Grinzato, A, Kandiah, E, Lico, C, Betti, C, Baschieri, S, Zanotti, G.
Deposit date:2019-03-28
Release date:2020-03-18
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Atomic structure of potato virus X, the prototype of the Alphaflexiviridae family.
Nat.Chem.Biol., 16, 2020
5VKQ
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BU of 5vkq by Molmil
Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L
Authors:Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y.
Deposit date:2017-04-22
Release date:2017-06-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Electron cryo-microscopy structure of the mechanotransduction channel NOMPC.
Nature, 547, 2017
5DWM
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BU of 5dwm by Molmil
Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-22
Release date:2015-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
to be published
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
5W71
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BU of 5w71 by Molmil
X-ray structure of BtrR from Bacillus circulans in the presence of the 2-DOS external aldimine
Descriptor: CHLORIDE ION, L-glutamine:2-deoxy-scyllo-inosose aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Zachman-Brockmeyer, T.R, Thoden, J.B, Holden, H.M.
Deposit date:2017-06-19
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of RbmB from Streptomyces ribosidificus, an aminotransferase involved in the biosynthesis of ribostamycin.
Protein Sci., 26, 2017
4CL1
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BU of 4cl1 by Molmil
The crystal structure of NS5A domain 1 from genotype 1a reveals new clues to the mechanism of action for dimeric HCV inhibitors
Descriptor: NON-STRUCTURAL PROTEIN 5A, SULFATE ION, ZINC ION
Authors:Lambert, S.M, Langley, D.R, Garnett, J.A, Angell, R, Hedgethorne, K, Meanwell, N.A, Matthews, S.J.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Crystal Structure of Ns5A Domain 1 from Genotype 1A Reveals New Clues to the Mechanism of Action for Dimeric Hcv Inhibitors.
Protein Sci., 23, 2014
5W70
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BU of 5w70 by Molmil
X-ray Structure of RbmB from Streptomyces ribosidificus
Descriptor: 1,2-ETHANEDIOL, L-glutamine:2-deoxy-scyllo-inosose aminotransferase, [4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Authors:Zachman-Brockmeyer, T.R, Thoden, J.B, Holden, H.M.
Deposit date:2017-06-19
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of RbmB from Streptomyces ribosidificus, an aminotransferase involved in the biosynthesis of ribostamycin.
Protein Sci., 26, 2017
4TVI
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BU of 4tvi by Molmil
X-ray crystal structure of an aminotransferase from Brucella abortus bound to the co-factor PLP
Descriptor: 1,2-ETHANEDIOL, Aminotransferase, class IV
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-27
Release date:2014-07-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of an aminotransferase from Brucella abortus bound to the co-factor PLP
To Be Published
5UC7
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BU of 5uc7 by Molmil
Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, D(-)-TARTARIC ACID
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-12-21
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex
To Be Published

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