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1WMB
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BU of 1wmb by Molmil
Crystal structure of NAD dependent D-3-hydroxybutylate dehydrogenase
Descriptor: CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION
Authors:Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T.
Deposit date:2004-07-06
Release date:2005-09-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
J.Mol.Biol., 355, 2006
1X1T
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BU of 1x1t by Molmil
Crystal Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi Complexed with NAD+
Descriptor: CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, ...
Authors:Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T.
Deposit date:2005-04-13
Release date:2006-01-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
J.Mol.Biol., 355, 2006
6LCQ
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BU of 6lcq by Molmil
Crystal structure of rice defensin OsAFP1
Descriptor: Defensin-like protein CAL1, PHOSPHATE ION
Authors:Ochiai, A, Ogawa, K, Fukuda, M, Suzuki, M, Ito, K, Tanaka, T, Sagehashi, Y, Taniguchi, M.
Deposit date:2019-11-19
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of rice defensin OsAFP1 and molecular insight into lipid-binding.
J.Biosci.Bioeng., 130, 2020
3W0E
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Structure of elastase inhibitor AFUEI (crystal form II)
Descriptor: Elastase inhibitor AFUEI
Authors:Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M.
Deposit date:2012-10-29
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus
J.Biol.Chem., 288, 2013
3W0D
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Structure of elastase inhibitor AFUEI (cyrstal form I)
Descriptor: Elastase inhibitor AFUEI
Authors:Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M.
Deposit date:2012-10-29
Release date:2013-05-15
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus
J.Biol.Chem., 288, 2013
5YAE
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Ferulic acid esterase from Streptomyces cinnamoneus at 2.4 A resolution
Descriptor: ACETATE ION, Esterase, SULFATE ION
Authors:Tamura, H, Uraji, M, Mizohata, E, Ogawa, K, Inoue, T, Hatanaka, T.
Deposit date:2017-08-31
Release date:2017-12-06
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Loop of Streptomyces Feruloyl Esterase Plays an Important Role in the Enzyme's Catalyzing the Release of Ferulic Acid from Biomass.
Appl. Environ. Microbiol., 84, 2018
5YAL
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Ferulic acid esterase from Streptomyces cinnamoneus at 1.5 A resolution
Descriptor: ACETATE ION, Esterase, GLYCEROL, ...
Authors:Tamura, H, Uraji, M, Mizohata, E, Ogawa, K, Inoue, T, Hatanaka, T.
Deposit date:2017-09-01
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Loop of Streptomyces Feruloyl Esterase Plays an Important Role in the Enzyme's Catalyzing the Release of Ferulic Acid from Biomass.
Appl. Environ. Microbiol., 84, 2018
5VAD
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Crystal structure of human Prolyl-tRNA synthetase (PRS) in complex with inhibitor
Descriptor: 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ...
Authors:Okada, K, Skene, R.J.
Deposit date:2017-03-24
Release date:2017-05-31
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of a novel prolyl-tRNA synthetase inhibitor and elucidation of its binding mode to the ATP site in complex with l-proline.
Biochem. Biophys. Res. Commun., 488, 2017
6P4V
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1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Descriptor: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-06-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
7YV1
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Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
Authors:Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
Descriptor: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
3APD
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Crystal structure of human PI3K-gamma in complex with CH5108134
Descriptor: 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APC
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Crystal structure of human PI3K-gamma in complex with CH5132799
Descriptor: 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.544 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APF
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Crystal structure of human PI3K-gamma in complex with CH5039699
Descriptor: 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
4FXC
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BU of 4fxc by Molmil
TERTIARY STRUCTURE OF [2FE-2S] FERREDOXIN FROM SPIRULINA PLATENSIS REFINED AT 2.5 ANGSTROMS RESOLUTION: STRUCTURAL COMPARISONS OF PLANT-TYPE FERREDOXINS AND AN ELECTROSTATIC POTENTIAL ANALYSIS
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN
Authors:Fukuyama, K, Tsukihara, T.
Deposit date:1995-04-25
Release date:1995-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tertiary structure of [2Fe-2S] ferredoxin from Spirulina platensis refined at 2.5 A resolution: structural comparisons of plant-type ferredoxins and an electrostatic potential analysis.
J.Biochem.(Tokyo), 117, 1995
5AYF
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Crystal structure of SET7/9 in complex with cyproheptadine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ...
Authors:Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S.
Deposit date:2015-08-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription
J.Med.Chem., 59, 2016

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