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PDB: 42745 件

5EPV
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BU of 5epv by Molmil
Histidine kinase domain from the LOV-HK blue-light receptor from Brucella abortus
分子名称: Blue-light-activated histidine kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Rinaldi, J, Guimaraes, B.G, Legrand, P, Thompson, A, Paris, G, Goldbaum, F.A, Klinke, S.
登録日2015-11-12
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Insights into the HWE Histidine Kinase Family: The Brucella Blue Light-Activated Histidine Kinase Domain.
J.Mol.Biol., 428, 2016
1F4O
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BU of 1f4o by Molmil
CRYSTAL STRUCTURE OF GRANCALCIN WITH BOUND CALCIUM
分子名称: CALCIUM ION, GRANCALCIN
著者Jia, J, Han, Q, Borregaard, N, Lollike, K, Cygler, M.
登録日2000-06-08
公開日2000-09-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human grancalcin, a member of the penta-EF-hand protein family.
J.Mol.Biol., 300, 2000
5LU5
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BU of 5lu5 by Molmil
A quantum half-site enzyme
分子名称: 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
5EV6
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BU of 5ev6 by Molmil
Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase IMP-1, ...
著者Spencer, J, Hinchliffe, P.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EW8
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BU of 5ew8 by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
著者Ogg, D, Breed, J.
登録日2015-11-20
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use.
Oncotarget, 7, 2016
5ETY
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BU of 5ety by Molmil
Crystal Structure of human Tankyrase-1 bound to K-756
分子名称: 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION
著者Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J.
登録日2015-11-18
公開日2016-06-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase
Mol.Cancer Ther., 15, 2016
5LEJ
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BU of 5lej by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), Listeriolysin regulatory protein
著者Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E.
登録日2016-06-29
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5EVA
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BU of 5eva by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED16
分子名称: NITRATE ION, Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
著者Zhu, J, Caflisch, A.
登録日2015-11-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5LEX
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BU of 5lex by Molmil
Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom
分子名称: MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5EVK
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BU of 5evk by Molmil
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.627 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5LH8
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BU of 5lh8 by Molmil
Trypsin inhibitors for the treatment of pancreatitis - cpd 8
分子名称: (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J.
登録日2016-07-08
公開日2016-08-10
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
5EZY
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BU of 5ezy by Molmil
Crystal structure of T2R-TTL-taccalonolide AJ complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, Y, Yu, Y, Chen, Q, Yang, J.
登録日2015-11-27
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mechanism of microtubule stabilization by taccalonolide AJ
Nat Commun, 8, 2017
5EWM
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BU of 5ewm by Molmil
CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH EVT-101
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine, Glutamate receptor ionotropic, ...
著者Pandit, J.
登録日2015-11-20
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B-selective Antagonists.
Mol.Pharmacol., 89, 2016
6DA9
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BU of 6da9 by Molmil
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with FMN bound at 2.05 A resolution
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, MANGANESE (II) ION, ...
著者Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Xu, W, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-05-01
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
6DDO
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BU of 6ddo by Molmil
Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the basal state
分子名称: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
5F4Z
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BU of 5f4z by Molmil
The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
分子名称: (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Tan, K, Li, H, Jedrzejczak, R, BABNIGG, G, BINGMAN, C.A, YENNAMALLI, R, LOHMAN, J, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-12-03
公開日2016-02-17
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
To Be Published
5EV9
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BU of 5ev9 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED15
分子名称: NITRATE ION, Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
著者Zhu, J, Caflisch, A.
登録日2015-11-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EX3
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BU of 5ex3 by Molmil
Crystal structure of human SMYD3 in complex with a VEGFR1 peptide
分子名称: ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Qiao, Q, Fu, W, Liu, N, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N.
登録日2015-11-23
公開日2016-03-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.408 Å)
主引用文献Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase
J.Biol.Chem., 291, 2016
6DDZ
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BU of 6ddz by Molmil
Crystal structure of the double mutant (D52N/R238W) of NT5C2-537X in the active state, Northeast Structural Genomics Target
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
5F3A
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BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5LF1
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BU of 5lf1 by Molmil
Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LGR
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BU of 5lgr by Molmil
Crystal structure of mouse CARM1 in complex with ligand P1C3u
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ...
著者Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J.
登録日2016-07-08
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LJL
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BU of 5ljl by Molmil
Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
分子名称: Flavodoxin, PHOSPHATE ION
著者Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J.
登録日2016-07-18
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
5EVE
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BU of 5eve by Molmil
Crystal structure of Amb a 8 in complex with poly-Pro10
分子名称: Poly-Proline peptide, Profilin
著者Offermann, L.R, Schlachter, C.R, Garrett, J, Chruszcz, M.
登録日2015-11-19
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural, Functional, and Immunological Characterization of Profilin Panallergens Amb a 8, Art v 4, and Bet v 2.
J.Biol.Chem., 291, 2016
5TQ6
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BU of 5tq6 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017

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