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6G7I
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BU of 6g7i by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
4YC0
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BU of 4yc0 by Molmil
Crystal structure of ADP-ribosyltransferase Vis in complex with M6 Inhibitor
分子名称: 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid, Putative NAD(+)--arginine ADP-ribosyltransferase Vis
著者Ravulapalli, R, Merrill, A.R.
登録日2015-02-19
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus.
Biochemistry, 54, 2015
6JND
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BU of 6jnd by Molmil
Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
著者Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
登録日2019-03-14
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
6FV4
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BU of 6fv4 by Molmil
The structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D267A mutant from Mycobacterium smegmatis in complex with N-acetyl-D-glucosamine-6-phosphate
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CADMIUM ION, ...
著者Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E.
登録日2018-03-01
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
4QB3
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BU of 4qb3 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with Olinone
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
著者Plotnikov, A.N, Joshua, J, Zhou, M.-M.
登録日2014-05-06
公開日2015-04-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Selective chemical modulation of gene transcription favors oligodendrocyte lineage progression.
Chem.Biol., 21, 2014
5W5X
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BU of 5w5x by Molmil
Crystal structure of BAXP168G in complex with an activating antibody
分子名称: 1,2-ETHANEDIOL, 3C10 Fab' heavy chain, 3C10 Fab' light chain, ...
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W67
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HLA-C*06:02 presenting VRSRR(ABA)LRL
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Mobbs, J.I, Vivian, J.P, Rossjohn, J.
登録日2017-06-16
公開日2017-08-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule.
J. Biol. Chem., 292, 2017
8CJA
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A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ...
著者Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H.
登録日2023-02-13
公開日2024-02-21
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 63, 2024
5VZ9
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BU of 5vz9 by Molmil
Post-catalytic complex of human Polymerase Mu (G433A) mutant with incoming dTTP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2017-05-27
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
1PES
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BU of 1pes by Molmil
NMR SOLUTION STRUCTURE OF THE TETRAMERIC MINIMUM TRANSFORMING DOMAIN OF P53
分子名称: TUMOR SUPPRESSOR P53
著者Lee, W, Harvey, T.S, Yin, Y, Yau, P, Litchfield, D, Arrowsmith, C.H.
登録日1994-11-24
公開日1995-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the tetrameric minimum transforming domain of p53.
Nat.Struct.Biol., 1, 1994
6GGB
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BU of 6ggb by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9318
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6PYA
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BU of 6pya by Molmil
Sex Hormone-binding globulin mutant E176K in complex with IPI
分子名称: 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole, CALCIUM ION, Sex hormone-binding globulin
著者Round, P.W, Das, S, Van Petegem, F.
登録日2019-07-29
公開日2019-12-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity.
J.Biol.Chem., 295, 2020
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
分子名称: BCL-xl protein, Beclin-1
著者Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
登録日2018-05-07
公開日2018-05-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6GJ5
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BU of 6gj5 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15
分子名称: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
5Z7G
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BU of 5z7g by Molmil
Crystal structure of TAX1BP1 SKICH region in complex with NAP1
分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1
著者Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C.
登録日2018-01-28
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8R36
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BU of 8r36 by Molmil
Crystal structure of the Gluk1 ligand-binding domain in complex with kainate and BPAM538 at 1.90 A resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
著者Bay, Y, Frantsen, S.M, Frydenvang, K, Kastrup, J.S.
登録日2023-11-08
公開日2024-08-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the GluK1 ligand-binding domain with kainate and the full-spanning positive allosteric modulator BPAM538.
J.Struct.Biol., 216, 2024
5BW4
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BU of 5bw4 by Molmil
Crystal structure of the 16S rRNA (adenine(1408)-N(1))-methyltransferase W203A mutant with cosubstrate SAM from Catenulisporales acidiphilia
分子名称: 16S rRNA (adenine(1408)-N(1))-methyltransferase, S-ADENOSYLMETHIONINE
著者Witek, M.A, Conn, G.L.
登録日2015-06-05
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional dichotomy in the 16S rRNA (m1A1408) methyltransferase family and control of catalytic activity via a novel tryptophan mediated loop reorganization.
Nucleic Acids Res., 44, 2016
5CCP
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BU of 5ccp by Molmil
HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Brown, K, Shaw, A, Miller, M.A, Kraut, J.
登録日1993-06-07
公開日1993-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I.
Biochemistry, 32, 1993
5JK3
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BU of 5jk3 by Molmil
Crystal structure of TL11-128 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-25
公開日2017-02-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.371 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
6A1Z
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BU of 6a1z by Molmil
Crystal Structure of dimeric Kinesin-3 KIF13B
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin family member 13B, MAGNESIUM ION
著者Ren, J.Q, Wang, S, Feng, W.
登録日2018-06-08
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Coiled-coil 1-mediated fastening of the neck and motor domains for kinesin-3 autoinhibition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6A04
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Structure of pSTING complex
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-06-05
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
5SDA
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BU of 5sda by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-774
分子名称: (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-20
公開日2022-02-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-774
to be published
6A94
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Crystal structure of 5-HT2AR in complex with zotepine
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T.
登録日2018-07-11
公開日2019-02-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
5SCO
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Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
分子名称: 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide, BROMIDE ION, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-20
公開日2022-02-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
to be published

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