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7T3R
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BU of 7t3r by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active C state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
著者Schmitz, E.A, Takahashi, H, Karakas, E.
登録日2021-12-08
公開日2022-03-23
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7AKG
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BU of 7akg by Molmil
Crystal structure of STK17B with bound dovitinib
分子名称: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 17B
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-09-30
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
2HMM
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BU of 2hmm by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene
分子名称: 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2MFC
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BU of 2mfc by Molmil
Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL1)/RsmE(dimer) 2:1 complex
分子名称: Carbon storage regulator homolog, SL1(RsmZ) RNA
著者Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
登録日2013-10-10
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
7E4D
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BU of 7e4d by Molmil
Crystal structure of PlDBR
分子名称: Double Bond Reductase
著者Sugimoto, K, Senda, M, Senda, T.
登録日2021-02-11
公開日2022-02-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exploration and structure-based engineering of alkenal double bond reductases catalyzing the C alpha C beta double bond reduction of coniferaldehyde.
N Biotechnol, 68, 2022
7APL
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BU of 7apl by Molmil
tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-10-18
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
7TF2
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BU of 7tf2 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein
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, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7AKI
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ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2
分子名称: (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide, NITRATE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2020-10-01
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
分子名称: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
8P4W
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BU of 8p4w by Molmil
Lactobacillus plantarum LpdD mutant - H35A
分子名称: PHOSPHATE ION, Protein LpdD
著者Gahloth, D, Leys, D.
登録日2023-05-23
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Gallate decarboxylase subunit D, LpdD
To Be Published
7KGS
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BU of 7kgs by Molmil
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146
分子名称: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
著者Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
登録日2020-10-18
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
7STJ
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BU of 7stj by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 1)
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-14
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7Q3T
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BU of 7q3t by Molmil
Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
著者Kwong, H, Beis, K.
登録日2021-10-28
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
7AXK
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BU of 7axk by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
3A12
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BU of 3a12 by Molmil
Crystal structure of Type III Rubisco complexed with 2-CABP
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Nishitani, Y, Fujihashi, M, Doi, T, Yoshida, S, Atomi, H, Imanaka, T, Miki, K.
登録日2009-03-25
公開日2010-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based catalytic optimization of a type III Rubisco from a hyperthermophile
J.Biol.Chem., 285, 2010
3IA0
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BU of 3ia0 by Molmil
Ethanolamine Utilization Microcompartment Shell Subunit, EutS-G39V mutant
分子名称: Ethanolamine utilization protein eutS
著者Tanaka, S, Sawaya, M.R, Yeates, T.O.
登録日2009-07-13
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Mechanisms of a Protein-Based Organelle in Escherichia coli.
Science, 327, 2010
7B05
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BU of 7b05 by Molmil
TRPC4 in complex with inhibitor GFB-8749
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one, CALCIUM ION, ...
著者Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
登録日2020-11-18
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7B34
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MST3 in complex with compound MRIA12
分子名称: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
著者Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7EKD
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BU of 7ekd by Molmil
Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ...
著者Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M.
登録日2021-04-05
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022
2HPC
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BU of 2hpc by Molmil
Crystal structure of fragment D from Human Fibrinogen Complexed with Gly-Pro-Arg-Pro-amide.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha chain, ...
著者Doolittle, R.F, Kollman, J.M, Chen, A, Pandi, L.
登録日2006-07-17
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献

2MFG
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BU of 2mfg by Molmil
Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL4)/RsmE(dimer) 2:1 complex
分子名称: Carbon storage regulator homolog, SL4(RsmZ) RNA
著者Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
登録日2013-10-11
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
5KZ8
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BU of 5kz8 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
分子名称: 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
著者Su, H.P, Munshi, S.K.
登録日2016-07-23
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7AL4
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Ancestral Flavin-containing monooxygenase (FMO) 1 (mammalian)
分子名称: Ancestral Flavin-containing monooxygenase 1 (mammalian), CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Nicoll, C.R, Mattevi, A.
登録日2020-10-05
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties.
J.Biol.Chem., 296, 2020
2MHX
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BU of 2mhx by Molmil
Structure of Exocyclic R,R N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA
分子名称: 5'-D(*CP*GP*GP*AP*CP*(RBD)P*AP*GP*AP*AP*G)-3'), 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
著者Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
登録日2013-12-05
公開日2014-05-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
7E51
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Structure of PEP bound Enolase from Mycobacterium tuberculosis
分子名称: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
著者Bose, S, Vinothkumar, K.R.
登録日2021-02-16
公開日2022-02-16
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023

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