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PDB: 51938 件

3LO6
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Crystal structure of human alpha-defensin 1 (W26Aba mutant)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Neutrophil defensin 1
著者Pazgier, M, Lu, W.
登録日2010-02-03
公開日2010-03-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
8P1W
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
3LJX
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Crystal Structure of MmoQ Response regulator (fragment 20-298) from Methylococcus capsulatus str. Bath, Northeast Structural Genomics Consortium Target McR175G
分子名称: CHLORIDE ION, MmoQ Response regulator
著者Kuzin, A, Scott, L, Forouhar, F, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-01-26
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Northeast Structural Genomics Consortium Target McR175G
To be published, 2009
7SK7
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Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, and an extracellular Fab
分子名称: (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Anti-Fab nanobody, Atypical chemokine receptor 3, ...
著者Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G.
登録日2021-10-19
公開日2022-07-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
4JI9
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JAK2 kinase (JH1 domain) in complex with TG101209
分子名称: N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Eigenbrot, C, Ultsch, M.
登録日2013-03-05
公開日2013-08-07
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5EL1
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Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) after acetaldehyde treatment
分子名称: 1-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
著者Weiergraeber, O.H, Dick, M, Pietruszka, J.
登録日2015-11-04
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
8P4H
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A
分子名称: 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-21
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
1H42
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FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY, ALA 160 REPLACED BY THR AND LEU 263 REPLACED BY PRO (T155G-A160T-L263P)
分子名称: FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C.
登録日2002-09-26
公開日2003-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Involvement of the Pyrophosphate and the 2'-Phosphate Binding Regions of Ferredoxin-Nadp+ Reductase in Coenzyme Specificity
J.Biol.Chem., 278, 2003
6GD2
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Structure of HuR RRM3 in complex with RNA
分子名称: ELAV-like protein 1, RNA (5'-R(P*UP*UP*UP*AP*UP*UP*U)-3')
著者Pabis, M, Sattler, M.
登録日2018-04-21
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
8P1T
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
6FX5
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MITF dimerization mutant
分子名称: Microphthalmia-associated transcription factor, SULFATE ION
著者Pogenberg, V, Milewski, M, Wilmanns, M.
登録日2018-03-08
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mechanism of conditional partner selectivity in MITF/TFE family transcription factors with a conserved coiled coil stammer motif.
Nucleic Acids Res., 48, 2020
6FMS
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IMISX-EP of Se-LspA
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
著者Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
登録日2018-02-02
公開日2018-08-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
2RNZ
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Solution structure of the presumed chromodomain of the yeast histone acetyltransferase, Esa1
分子名称: Histone acetyltransferase ESA1
著者Shimojo, H, Sano, N, Moriwaki, Y, Okuda, M, Horikoshi, M, Nishimura, Y.
登録日2008-03-01
公開日2008-04-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Novel structural and functional mode of a knot essential for RNA binding activity of the Esa1 presumed chromodomain
J.Mol.Biol., 378, 2008
5EQT
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crystal structure of the ATPase domain of PAN from Pyrococcus horikoshii
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Proteasome-activating nucleotidase, ...
著者Colombo, M.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献crystal structure of the ATPase domain of PAN from Pyrococcus horikoshii
To Be Published
8OFW
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Crystal structure of the full-length dihydroorotate dehydrogenase from Mycobacterium tuberculosis
分子名称: Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE
著者Alberti, M, Ferraris, D.M, Miggiano, R.
登録日2023-03-17
公開日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Biochemical characterization of Mycobacterium tuberculosis dihydroorotate dehydrogenase and identification of a selective inhibitor.
Febs Lett., 597, 2023
8COJ
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Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
1HC9
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alpha-bungarotoxin complexed with high affinity peptide
分子名称: ALPHA-BUNGAROTOXIN ISOFORM A31, ALPHA-BUNGAROTOXIN ISOFORM V31, IODIDE ION, ...
著者Harel, M, Kasher, R, Sussman, J.L.
登録日2001-05-02
公開日2001-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Binding Site of Acetylcholine Receptor as Visualized in the X-Ray Structure of a Complex between Alpha-Bungarotoxin and a Mimotope Peptide.
Neuron, 32, 2001
5EW6
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Structure of ligand binding region of uPARAP at pH 7.4 without calcium
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type mannose receptor 2, ...
著者Yuan, C, Huang, M.
登録日2015-11-20
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding
Biochem.J., 473, 2016
6G2I
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Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution
分子名称: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
著者Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
登録日2018-03-23
公開日2018-06-13
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
5EYP
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TUBULIN-DARPIN COMPLEX
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ahmad, S, Knossow, M, Gigant, B.
登録日2015-11-25
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin.
Sci Rep, 6, 2016
8COT
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Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
分子名称: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
5F1C
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Crystal structure of an invertebrate P2X receptor from the Gulf Coast tick in the presence of ATP and Zn2+ ion at 2.9 Angstroms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Putative uncharacterized protein, ...
著者Kasuya, G, Hattori, M, Ishitani, R, Nureki, O.
登録日2015-11-30
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights into Divalent Cation Modulations of ATP-Gated P2X Receptor Channels
Cell Rep, 14, 2016
6FUY
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Crystal structure of human full-length vinculin-T12-A974K (residues 1-1066)
分子名称: CALCIUM ION, Vinculin
著者Chorev, D.S, Volberg, T, Livne, A, Eisenstein, M, Martins, B, Kam, Z, Jockusch, B.M, Medalia, O, Sharon, M, Geiger, B.
登録日2018-02-28
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformational states during vinculin unlocking differentially regulate focal adhesion properties.
Sci Rep, 8, 2018
7KFA
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PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
著者Chopra, R, Xu, M, Spraggon, G.
登録日2020-10-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
8EVF
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HUMAN DNA POLYMERASE ETA EXTENSION COMPLEX WITH AN INCOMING DCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*G)-3'), ...
著者Pallan, P.S, Egli, M.
登録日2022-10-20
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献The peroxidation-derived DNA adduct, 6-oxo-M 1 dG, is a strong block to replication by human DNA polymerase eta.
J.Biol.Chem., 299, 2023

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