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7QYY
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BU of 7qyy by Molmil
Vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with chloride
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E.
登録日2022-01-29
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
4ZAC
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Structure of S. cerevisiae Fdc1 with the prenylated-flavin cofactor in the iminium form.
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者White, M.D, Leys, D.
登録日2015-04-13
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
8GVM
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The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimada, A.
登録日2022-09-15
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity
J. Biol. Chem., 293, 2018
4YYF
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The crystal structure of a glycosyl hydrolase of GH3 family member from [Mycobacterium smegmatis str. MC2 155
分子名称: ACETATE ION, Beta-N-acetylhexosaminidase, FORMIC ACID, ...
著者Tan, K, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-03-23
公開日2015-04-08
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The crystal structure of a glycosyl hydrolase of GH3 family member from [Mycobacterium smegmatis str. MC2 155
To Be Published
3M1A
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BU of 3m1a by Molmil
The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
分子名称: ACETATE ION, Putative dehydrogenase, SODIUM ION
著者Stein, A.J, Evdokimova, E, Egorova, O, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-03-04
公開日2010-03-23
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
To be Published
6QWY
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BU of 6qwy by Molmil
HEWL lysozyme, crystallized from NaCl solution
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V.
登録日2019-03-06
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献HEWL lysozyme, crystallized from different chlorides
To Be Published
7RRP
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Apoferritin structure at 1.27 angstrom resolution determined from a 300 kV Titan Krios G3i electron microscope with Falcon4 detector
分子名称: Ferritin heavy chain, SODIUM ION, ZINC ION
著者Pintilie, G, Zhang, K, Chiu, W.
登録日2021-08-10
公開日2021-08-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (1.27 Å)
主引用文献Resolving individual atoms of protein complex by cryo-electron microscopy.
Cell Res., 30, 2020
4ZIP
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BU of 4zip by Molmil
HIV-1 wild Type protease with GRL-0648A (a isophthalamide-derived P2-Ligand)
分子名称: CHLORIDE ION, GLYCEROL, N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2015-04-28
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.
Bioorg.Med.Chem.Lett., 25, 2015
8OLT
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BU of 8olt by Molmil
Mitochondrial complex I from Mus musculus in the active state bound with piericidin A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J.
登録日2023-03-30
公開日2023-08-09
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
8OM1
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BU of 8om1 by Molmil
Mitochondrial complex I from Mus musculus in the active state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J.
登録日2023-03-31
公開日2023-08-09
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
8GF8
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BU of 8gf8 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
7USI
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BU of 7usi by Molmil
BRD2-BD1 in complex with MDP5
分子名称: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7RF4
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BU of 7rf4 by Molmil
RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
8GHF
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BU of 8ghf by Molmil
cryo-EM structure of hSlo1 in plasma membrane vesicles
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ...
著者Tao, X, Zhao, C, MacKinnon, R.
登録日2023-03-10
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Membrane protein isolation and structure determination in cell-derived membrane vesicles.
Proc.Natl.Acad.Sci.USA, 120, 2023
4YB8
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BU of 4yb8 by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-18
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YD2
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BU of 4yd2 by Molmil
Nicked complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ...
著者Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
登録日2015-02-20
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.471 Å)
主引用文献Creative template-dependent synthesis by human polymerase mu.
Proc.Natl.Acad.Sci.USA, 112, 2015
8GF9
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BU of 8gf9 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
4YDD
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BU of 4ydd by Molmil
Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Tsai, C.-L, Youngblut, M.D, Tainer, J.A.
登録日2015-02-21
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
6ZT3
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N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP
分子名称: 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ...
著者Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A.
登録日2020-07-17
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
3M8A
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BU of 3m8a by Molmil
Crystal Structure of Swine Flu Virus NS1 N-Terminal RNA Binding Domain from H1N1 Influenza A/California/07/2009
分子名称: ACETATE ION, MALONATE ION, Nonstructural protein 1, ...
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-03-17
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Swine Flu Virus NS1 N-Terminal RNA Binding Domain from H1N1 Influenza A/California/07/2009
To be Published
8GFA
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BU of 8gfa by Molmil
Cryo-EM structure of human TRPV1 in complex with the analgesic drug SB-366791
分子名称: (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8ICM
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BU of 8icm by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR), MNCL2 (5 MILLIMOLAR), AND AMMONIUM SULFATE (75 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-01-04
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
6QVY
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The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.686 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
8ICJ
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BU of 8icj by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + THYMIDINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DTTP AND MGCL2
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
8ICU
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BU of 8icu by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DDATP (1 MILLIMOLAR) AND MNCL2 (5 MILLIMOLAR)
分子名称: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*GP*A)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1995-12-15
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996

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