Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5LVX
DownloadVisualize
BU of 5lvx by Molmil
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Descriptor: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
6V8D
DownloadVisualize
BU of 6v8d by Molmil
Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
Descriptor: (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B.
Deposit date:2019-12-10
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
6V8C
DownloadVisualize
BU of 6v8c by Molmil
Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
Descriptor: 3-aminocyclohexa-1,3-diene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B.
Deposit date:2019-12-10
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
4ZSW
DownloadVisualize
BU of 4zsw by Molmil
Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
4ZSY
DownloadVisualize
BU of 4zsy by Molmil
Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid.
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
6OIA
DownloadVisualize
BU of 6oia by Molmil
(1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase
Descriptor: (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ...
Authors:Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B.
Deposit date:2019-04-09
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
8EZ1
DownloadVisualize
BU of 8ez1 by Molmil
Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid
Descriptor: (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid, Ornithine aminotransferase, ...
Authors:Butrin, A, Shen, S, Silverman, R, Liu, D.
Deposit date:2022-10-30
Release date:2023-02-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural and Mechanistic Basis for the Inactivation of Human Ornithine Aminotransferase by (3 S ,4 S )-3-Amino-4-fluorocyclopentenecarboxylic Acid.
Molecules, 28, 2023
6PAV
DownloadVisualize
BU of 6pav by Molmil
Structure of Human NMT1 with products CoA and myristoyl-lysine peptide with acetylated N-terminus
Descriptor: ARF6 peptide, COENZYME A, GLYCEROL, ...
Authors:Price, I.R, Lin, H.
Deposit date:2019-06-12
Release date:2020-03-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
6CPD
DownloadVisualize
BU of 6cpd by Molmil
Crystal structure of PmoD soluble domain from Methylocystis sp. ATCC 49242 (Rockwell)
Descriptor: COPPER (I) ION, PmoD, SULFATE ION
Authors:Fisher, O.S, Rosenzweig, A.C.
Deposit date:2018-03-13
Release date:2018-10-31
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Characterization of a long overlooked copper protein from methane- and ammonia-oxidizing bacteria.
Nat Commun, 9, 2018
6PAU
DownloadVisualize
BU of 6pau by Molmil
Structure of Human NMT2 with myristoyl-lysine peptide and CoA products
Descriptor: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ...
Authors:Price, I.R, Lin, H.
Deposit date:2019-06-11
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
7TCR
DownloadVisualize
BU of 7tcr by Molmil
Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b at 2.62 Angstrom resolution
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Park, Y, Reyes, R.M, Rosenzweig, A.C.
Deposit date:2021-12-28
Release date:2022-03-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:A mixed-valent Fe(II)Fe(III) species converts cysteine to an oxazolone/thioamide pair in methanobactin biosynthesis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TCX
DownloadVisualize
BU of 7tcx by Molmil
Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b at 2.21 Angstrom resolution
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Park, Y, Reyes, R.M, Rosenzweig, A.C.
Deposit date:2021-12-28
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A mixed-valent Fe(II)Fe(III) species converts cysteine to an oxazolone/thioamide pair in methanobactin biosynthesis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TCW
DownloadVisualize
BU of 7tcw by Molmil
Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b, H210S mutant
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Park, Y, Reyes, R.M, Rosenzweig, A.C.
Deposit date:2021-12-28
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:A mixed-valent Fe(II)Fe(III) species converts cysteine to an oxazolone/thioamide pair in methanobactin biosynthesis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TCU
DownloadVisualize
BU of 7tcu by Molmil
Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b at 2.31 Angstrom resolution
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Park, Y, Reyes, R.M, Rosenzweig, A.C.
Deposit date:2021-12-28
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A mixed-valent Fe(II)Fe(III) species converts cysteine to an oxazolone/thioamide pair in methanobactin biosynthesis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TFP
DownloadVisualize
BU of 7tfp by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid.
Descriptor: (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Zhu, W, Silverman, R, Liu, D.
Deposit date:2022-01-06
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
7TEV
DownloadVisualize
BU of 7tev by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate
Descriptor: (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
Authors:Butrin, A, Zhu, W, Silverman, R, Liu, D.
Deposit date:2022-01-05
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
7TED
DownloadVisualize
BU of 7ted by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate
Descriptor: (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Zhu, W, Silverman, R, Liu, D.
Deposit date:2022-01-04
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
4YHZ
DownloadVisualize
BU of 4yhz by Molmil
Crystal structure of 304M3-B Fab in complex with H3K4me3 peptide
Descriptor: Fab Heavy Chain, Fab Light Chain, GLYCEROL, ...
Authors:Hattori, T, Dementieva, I.S, Montano, S.P, Koide, S.
Deposit date:2015-02-27
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Antigen clasping by two antigen-binding sites of an exceptionally specific antibody for histone methylation.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YHY
DownloadVisualize
BU of 4yhy by Molmil
Crystal structure of 309M3-B in complex with trimethylated Lys
Descriptor: Fab Heavy Chain, Fab Light Chain, N-TRIMETHYLLYSINE
Authors:Hattori, T, Dementieva, I.S, Montano, S.P, Koide, S.
Deposit date:2015-02-27
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antigen clasping by two antigen-binding sites of an exceptionally specific antibody for histone methylation.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YHP
DownloadVisualize
BU of 4yhp by Molmil
Crystal structure of 309M3-B Fab in complex with H3K9me3 peptide
Descriptor: Fab Heavy Chain, Fab Light Chain, H3K9me3 peptide
Authors:Hattori, T, Dementieva, I.S, Montano, S.P, Koide, S.
Deposit date:2015-02-27
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Antigen clasping by two antigen-binding sites of an exceptionally specific antibody for histone methylation.
Proc.Natl.Acad.Sci.USA, 113, 2016
5AGM
DownloadVisualize
BU of 5agm by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGO
DownloadVisualize
BU of 5ago by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGN
DownloadVisualize
BU of 5agn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGL
DownloadVisualize
BU of 5agl by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
Descriptor: (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGK
DownloadVisualize
BU of 5agk by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid
Descriptor: (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon