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4YJE
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BU of 4yje by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A1
分子名称: APC membrane recruitment protein 1, Adenomatous polyposis coli protein
著者Zhang, Z, Xiao, Y, Wu, G.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4YJL
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BU of 4yjl by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A2
分子名称: 1,2-ETHANEDIOL, APC membrane recruitment protein 1, Adenomatous polyposis coli protein
著者Zhang, Z, Xiao, Y, Wu, G.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
7NP9
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BU of 7np9 by Molmil
Structure of the human CR3 - CD11bCD18 specific nanobody hCR3Nb1
分子名称: SULFATE ION, hCR3Nb1
著者Jensen, R.K, Andersen, G.R.
登録日2021-02-26
公開日2022-03-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Structural insights into the function-modulating effects of nanobody binding to the integrin receptor alpha M beta 2.
J.Biol.Chem., 298, 2022
5C9C
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BU of 5c9c by Molmil
CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND
分子名称: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Edwards, T, Abendroth, J, Chun, L.
登録日2015-06-26
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
6BUC
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BU of 6buc by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp.
分子名称: OspTx2b
著者Krishnarjuna, B, Norton, R.S.
登録日2017-12-10
公開日2018-05-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Synthesis, folding, structure and activity of a predicted peptide from the sea anemone Oulactis sp. with an ShKT fold.
Toxicon, 150, 2018
7P2D
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BU of 7p2d by Molmil
Structure of alphaMbeta2/Cd11bCD18 headpiece in complex with a nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Jensen, R.K, Andersen, G.R.
登録日2021-07-05
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the function-modulating effects of nanobody binding to the integrin receptor alpha M beta 2.
J.Biol.Chem., 298, 2022
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-07-25
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
6CKF
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BU of 6ckf by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2
分子名称: OspTx2a-p2
著者Sunanda, P, Krishnarjuna, B, Norton, R.S.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Identification, chemical synthesis, structure, and function of a new KV1 channel blocking peptide from Oulactis sp.
Peptide Science, 110, 2018
1BF3
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BU of 1bf3 by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1998-05-26
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding.
Eur.J.Biochem., 253, 1998
1BGJ
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BU of 1bgj by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND HIS 162 REPLACED BY ARG (H162R), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1998-05-29
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Interdomain binding of NADPH in p-hydroxybenzoate hydroxylase as suggested by kinetic, crystallographic and modeling studies of histidine 162 and arginine 269 variants.
J.Biol.Chem., 273, 1998
1BKW
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BU of 1bkw by Molmil
p-Hydroxybenzoate hydroxylase (phbh) mutant with cys116 replaced by ser (c116s) and arg44 replaced by lys (r44k), in complex with fad and 4-hydroxybenzoic acid
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H, Schreuder, H.A, Van Berkel, W.J.
登録日1998-07-13
公開日1998-07-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of mutant Arg44Lys of 4-hydroxybenzoate hydroxylase implications for NADPH binding.
Eur.J.Biochem., 231, 1995
3LAD
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BU of 3lad by Molmil
REFINED CRYSTAL STRUCTURE OF LIPOAMIDE DEHYDROGENASE FROM AZOTOBACTER VINELANDII AT 2.2 ANGSTROMS RESOLUTION. A COMPARISON WITH THE STRUCTURE OF GLUTATHIONE REDUCTASE
分子名称: DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Mattevi, A, Schierbeek, A.J, Hol, W.G.J.
登録日1991-12-11
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined crystal structure of lipoamide dehydrogenase from Azotobacter vinelandii at 2.2 A resolution. A comparison with the structure of glutathione reductase.
J.Mol.Biol., 220, 1991
1CC6
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BU of 1cc6 by Molmil
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-03-04
公開日1999-03-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability.
Febs Lett., 443, 1999
1CC4
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BU of 1cc4 by Molmil
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-03-04
公開日1999-03-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability.
Febs Lett., 443, 1999
1BGN
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BU of 1bgn by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 269 REPLACED BY THR (R269T), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1998-05-29
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interdomain binding of NADPH in p-hydroxybenzoate hydroxylase as suggested by kinetic, crystallographic and modeling studies of histidine 162 and arginine 269 variants.
J.Biol.Chem., 273, 1998
1CJ2
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BU of 1cj2 by Molmil
MUTANT GLN34ARG OF PARA-HYDROXYBENZOATE HYDROXYLASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-04-21
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
8QLL
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BU of 8qll by Molmil
Crystal structure of rat glutathione transferase Omega 1 bound to glutathione
分子名称: GLUTATHIONE, Glutathione S-transferase omega-1
著者Schwartz, M, Neiers, F.
登録日2023-09-20
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rattus norvegicus Glutathione Transferase Omega 1 Localization in Oral Tissues and Interactions with Food Phytochemicals.
J.Agric.Food Chem., 72, 2024
7PV1
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BU of 7pv1 by Molmil
Crystal structure of the dimeric mitofilin domain of Mic60 in complex with the CHCH domain of Mic19
分子名称: MICOS complex subunit MIC60 fused to MIC19, TETRAETHYLENE GLYCOL
著者Funck, K, Bock-Bierbaum, T, Daumke, O.
登録日2021-10-01
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
7PUZ
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BU of 7puz by Molmil
Crystal structure of the Mic60 coiled coil domain
分子名称: MICOS complex subunit MIC60
著者Bock-Bierbaum, T, Funck, K, Daumke, O.
登録日2021-10-01
公開日2022-09-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
7PV0
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BU of 7pv0 by Molmil
Crystal structure of a Mic60-Mic19 fusion protein
分子名称: MICOS complex subunit MIC60,MICOS complex subunit MIC60-MIC19,Mic60-Mic19, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
著者Funck, K, Bock-Bierbaum, T, Daumke, O.
登録日2021-10-01
公開日2022-09-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
8CHB
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BU of 8chb by Molmil
Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant
分子名称: Multidrug resistance ABC transporter ATP-binding/permease protein BmrA
著者Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M.
登録日2023-02-07
公開日2023-12-20
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
4RV7
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BU of 4rv7 by Molmil
Characterization of an essential diadenylate cyclase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ...
著者Dickmanns, A, Neumann, P, Ficner, R.
登録日2014-11-25
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes.
J.Biol.Chem., 290, 2015
6I6Z
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BU of 6i6z by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
分子名称: (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, Carboxypeptidase A1, ZINC ION
著者Gallego, P, Reverter, D.
登録日2018-11-15
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Synthesis and Structural/Functional Characterization of Selective M14 Metallocarboxypeptidase Inhibitors Based on Phosphinic Pseudopeptide Scaffold: Implications on the Design of Specific Optical Probes.
J. Med. Chem., 62, 2019
4FEQ
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BU of 4feq by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
分子名称: 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3
著者Ohren, J.F, Powell, N.A, Kohrt, J.T, Perrin, L.A.
登録日2012-05-30
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
分子名称: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
著者Swain, N, Chrencik, J.
登録日2016-05-26
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017

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