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3UTB
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BU of 3utb by Molmil
Crystal Structure of Nucleosome Core Particle Assembled with the 146b Alpha-Satellite Sequence (NCP146b)
分子名称: 146-mer DNA, Histone H2A, Histone H2B 1.1, ...
著者Chua, E.Y.D, Vasudevan, D, Davey, G.E, Wu, B, Davey, C.A.
登録日2011-11-25
公開日2012-04-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The mechanics behind DNA sequence-dependent properties of the nucleosome
Nucleic Acids Res., 40, 2012
6QZ2
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BU of 6qz2 by Molmil
Structure of MHETase from Ideonella sakaiensis
分子名称: CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase
著者Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
登録日2019-03-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
7RNJ
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BU of 7rnj by Molmil
S2P6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide
分子名称: Monoclonal antibody S2P6 Fab heavy chain, Monoclonal antibody S2P6 Fab light chain, SULFATE ION, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M, Sauer, M.M, Veesler, D.
登録日2021-07-29
公開日2021-08-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Broad betacoronavirus neutralization by a stem helix-specific human antibody.
Science, 373, 2021
7LZ3
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BU of 7lz3 by Molmil
Computational design of constitutively active cGAS
分子名称: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION
著者Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
登録日2021-03-08
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
7MEU
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BU of 7meu by Molmil
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders
分子名称: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E
著者Papadopoulos, E.
登録日2021-04-07
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Eur.J.Med.Chem., 219, 2021
3V01
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BU of 3v01 by Molmil
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S.
登録日2011-12-07
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
7RE2
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BU of 7re2 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
4FCF
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BU of 4fcf by Molmil
K234R: apo structure of inhibitor resistant beta-lactamase
分子名称: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Rodkey, E.A, van den Akker, F.
登録日2012-05-24
公開日2012-12-26
最終更新日2013-10-02
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
J.Med.Chem., 56, 2013
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
2FQZ
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BU of 2fqz by Molmil
Metal-depleted Ecl18kI in complex with uncleaved DNA
分子名称: DNA STRAND 1, DNA STRAND 2, R.Ecl18kI
著者Bochtler, M, Szczepanowski, R.H, Tamulaitis, G, Grazulis, S, Czapinska, H, Manakova, E, Siksnys, V.
登録日2006-01-18
公開日2006-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease
Embo J., 25, 2006
4O3V
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BU of 4o3v by Molmil
Crystal structure of a VirB8-like protein of type IV secretion system from Rickettsia typhi
分子名称: S,R MESO-TARTARIC ACID, VirB8-like protein of type IV secretion system
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-18
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
4NYT
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BU of 4nyt by Molmil
L-Ficolin Complexed to Phosphocholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Laffly, E, Gaboriaud, C, Martin, L, Thielens, N.
登録日2013-12-11
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Human L-ficolin recognizes phosphocholine moieties of pneumococcal teichoic Acid
J.Immunol., 193, 2014
4F28
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BU of 4f28 by Molmil
The Crystal Structure of a Human MitoNEET mutant with Met 62 Replaced by a Gly
分子名称: CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER
著者Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A.
登録日2012-05-07
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
3GLS
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BU of 3gls by Molmil
Crystal Structure of Human SIRT3
分子名称: NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ...
著者Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
登録日2009-03-12
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
5D4J
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BU of 5d4j by Molmil
Chloride-bound form of a copper nitrite reductase from Alcaligenes faecals
分子名称: ACETIC ACID, CHLORIDE ION, COPPER (II) ION, ...
著者Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E.
登録日2015-08-07
公開日2016-03-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
7QJR
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BU of 7qjr by Molmil
Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703)
分子名称: Cutinase 1, TETRAETHYLENE GLYCOL
著者Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
5VT0
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BU of 5vt0 by Molmil
Escherichia coli 6S RNA derivative in complex with Escherichia coli RNA polymerase sigma70-holoenzyme
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Chen, J, Darst, S.A.
登録日2017-05-15
公開日2017-11-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献6S RNA Mimics B-Form DNA to Regulate Escherichia coli RNA Polymerase.
Mol. Cell, 68, 2017
7QJM
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BU of 7qjm by Molmil
Crystal structure of an alpha/beta-hydrolase enzyme from Chloroflexus sp. MS-G (202)
分子名称: alpha/beta-hydrolase (202)
著者Zahn, M, Graham, R, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJP
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BU of 7qjp by Molmil
Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611)
分子名称: Cutinase, TETRAETHYLENE GLYCOL
著者Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
4F4D
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BU of 4f4d by Molmil
F337R variant of human ferrochelatase
分子名称: CHLORIDE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ...
著者Lanzilotta, W.N, Medlock, A.E, Dailey, T.E, Dailey, H.A.
登録日2012-05-10
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献F337R Variant of Human Ferrochelatase
TO BE PUBLISHED
7QJO
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BU of 7qjo by Molmil
Crystal structure of a cutinase enzyme from Marinactinospora thermotolerans DSM45154 (606)
分子名称: Cutinase
著者Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
5D4H
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BU of 5d4h by Molmil
High-resolution nitrite complex of a copper nitrite reductase determined by synchrotron radiation crystallography
分子名称: ACETIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E.
登録日2015-08-07
公開日2016-03-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
7LU6
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BU of 7lu6 by Molmil
Crystal structure of the mouse Kirrel3 D1 homodimer
分子名称: Kin of IRRE-like protein 3, SODIUM ION
著者Roman, C.A, Pak, J.S, Wang, J, Ozkan, E.
登録日2021-02-21
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors.
Cell Rep, 37, 2021
7LA9
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BU of 7la9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with bivalent inhibitor NC-III-49-1
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2021-01-06
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
5VLJ
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BU of 5vlj by Molmil
Cryo-EM structure of yeast cytoplasmic dynein with Walker B mutation at AAA3 in presence of ATP-VO4
分子名称: Dynein heavy chain, cytoplasmic, Nuclear distribution protein PAC1
著者Cianfrocco, M.A, DeSantis, M.E, Htet, Z.M, Tran, P.T, Reck-Peterson, S.L, Leschziner, A.E.
登録日2017-04-25
公開日2017-09-06
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献Lis1 Has Two Opposing Modes of Regulating Cytoplasmic Dynein.
Cell, 170, 2017

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