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2X23
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BU of 2x23 by Molmil
crystal structure of M. tuberculosis InhA inhibited by PT70
Descriptor: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ...
Authors:Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C.
Deposit date:2010-01-10
Release date:2010-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis.
J.Biol.Chem., 285, 2010
2X22
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BU of 2x22 by Molmil
crystal structure of M. tuberculosis InhA inhibited by PT70
Descriptor: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ...
Authors:Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C.
Deposit date:2010-01-10
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis.
J.Biol.Chem., 285, 2010
8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
Authors:Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
8E50
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BU of 8e50 by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
6AX1
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BU of 6ax1 by Molmil
Structure of human monoacylglycerol lipase bound to a covalent inhibitor
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase
Authors:Pandit, J.
Deposit date:2017-09-06
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.
J. Med. Chem., 60, 2017
5UPH
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BU of 5uph by Molmil
Lipids bound lysosomal integral membrane protein 2
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Conrad, K.S, Liu, S.
Deposit date:2017-02-03
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Lysosomal integral membrane protein-2 as a phospholipid receptor revealed by biophysical and cellular studies.
Nat Commun, 8, 2017
4NPW
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BU of 4npw by Molmil
Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine)
Descriptor: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Pandit, J, Evdomikov, A, Mansour, M, Simons, S.
Deposit date:2013-11-22
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
4NPV
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BU of 4npv by Molmil
Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine)
Descriptor: 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Pandit, J, Evdomikov, A, Mansour, M, Simons, S.
Deposit date:2013-11-22
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
5W6E
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BU of 5w6e by Molmil
PDE1b complexed with compound 3S
Descriptor: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Vajdos, F.F.
Deposit date:2017-06-16
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
J. Med. Chem., 61, 2018

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PDB entries from 2024-09-18

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