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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
Descriptor: (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, ...
Authors: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.
Deposit date:2018-04-06
Release date:2018-06-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid, Putative NAD(+)--arginine ADP-ribosyltransferase Vis
Authors:Ravulapalli, R, Merrill, A.R.
Deposit date:2015-02-19
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
Authors:Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
Deposit date:2019-03-14
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CADMIUM ION, ...
Authors:Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E.
Deposit date:2018-03-01
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.974 Å)
Cite: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
Descriptor: 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
Authors:Plotnikov, A.N, Joshua, J, Zhou, M.-M.
Deposit date:2014-05-06
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.94 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3C10 Fab' heavy chain, 3C10 Fab' light chain, ...
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W67
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BU of 5w67 by Molmil
HLA-C*06:02 presenting VRSRR(ABA)LRL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Mobbs, J.I, Vivian, J.P, Rossjohn, J.
Deposit date:2017-06-16
Release date:2017-08-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 8cja by Molmil
A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ...
Authors:Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H.
Deposit date:2023-02-13
Release date:2024-02-21
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: TUMOR SUPPRESSOR P53
Authors:Lee, W, Harvey, T.S, Yin, Y, Yau, P, Litchfield, D, Arrowsmith, C.H.
Deposit date:1994-11-24
Release date:1995-02-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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
Descriptor: 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole, CALCIUM ION, Sex hormone-binding globulin
Authors:Round, P.W, Das, S, Van Petegem, F.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: BCL-xl protein, Beclin-1
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.444 Å)
Cite: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
Descriptor: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.499 Å)
Cite: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
Descriptor: 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1
Authors:Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C.
Deposit date:2018-01-28
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite: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
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
Authors:Bay, Y, Frantsen, S.M, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-11-08
Release date:2024-08-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 16S rRNA (adenine(1408)-N(1))-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Witek, M.A, Conn, G.L.
Deposit date:2015-06-05
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brown, K, Shaw, A, Miller, M.A, Kraut, J.
Deposit date:1993-06-07
Release date:1993-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-25
Release date:2017-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.371 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin family member 13B, MAGNESIUM ION
Authors:Ren, J.Q, Wang, S, Feng, W.
Deposit date:2018-06-08
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite: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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BU of 6a04 by Molmil
Structure of pSTING complex
Descriptor: 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
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-774
to be published
6A94
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BU of 6a94 by Molmil
Crystal structure of 5-HT2AR in complex with zotepine
Descriptor: 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, ...
Authors: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.
Deposit date:2018-07-11
Release date:2019-02-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
5SCO
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BU of 5sco by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
Descriptor: 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide, BROMIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
to be published

243531

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