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PDB: 45955 件

4J0S
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Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
6NJ3
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Thermostable variant of human carbonic anhydrase with ordered tetrazine 2.0 at site 233
分子名称: ACETATE ION, Carbonic anhydrase 2, ZINC ION
著者Kean, K.M, Karplus, P.A.
登録日2019-01-02
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
4J4Q
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BU of 4j4q by Molmil
Crystal structure of active conformation of GPCR opsin stabilized by octylglucoside
分子名称: ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ...
著者Park, J.H, Morizumi, T, Li, Y, Hong, J.E, Pai, E.F, Hofmann, K.P, Choe, H.W, Ernst, O.P.
登録日2013-02-07
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Opsin, a structural model for olfactory receptors?
Angew.Chem.Int.Ed.Engl., 52, 2013
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2019-09-04
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
3DPG
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BU of 3dpg by Molmil
SgrAI with noncognate DNA bound
分子名称: CALCIUM ION, DNA (5'-D(*DAP*DAP*DGP*DTP*DCP*DGP*DAP*DCP*DCP*DGP*DGP*DTP*DGP*DGP*DAP*DCP*DT)-3'), SgraIR restriction enzyme
著者Dunten, P.W, Horton, N.C, Little, E.J.
登録日2008-07-08
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The structure of SgrAI bound to DNA; recognition of an 8 base pair target.
Nucleic Acids Res., 36, 2008
3MW0
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BU of 3mw0 by Molmil
X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2
分子名称: 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, DITHIANE DIOL, FE (III) ION, ...
著者Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S.
登録日2010-05-05
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
5EKW
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A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W.
登録日2015-11-04
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
8V2O
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BU of 8v2o by Molmil
Cryo-EM Structure of Wildtype Smooth Muscle Gamma Actin (ACTG2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ...
著者Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R.
登録日2023-11-23
公開日2024-05-01
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Molecular mechanisms linking missense ACTG2 mutations to visceral myopathy.
Sci Adv, 10, 2024
6NWG
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BU of 6nwg by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
分子名称: ATP-dependent dethiobiotin synthetase BioD, [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-06
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
To Be Published
8V2Z
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Cryo-EM Structure of Smooth Muscle Gamma Actin (ACTG2) Mutant R257C
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ...
著者Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R.
登録日2023-11-25
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R257C
To Be Published
6NWU
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BU of 6nwu by Molmil
RORgamma Ligand Binding Domain
分子名称: 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole, Nuclear receptor ROR-gamma
著者Strutzenberg, T.S, Park, H, Griffin, P.R.
登録日2019-02-07
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
4KRZ
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BU of 4krz by Molmil
Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi
分子名称: GLYCEROL, POTASSIUM ION, Pyruvate kinase
著者Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-05-17
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
6VXN
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BU of 6vxn by Molmil
Cryo-EM structure of Arabidopsis thaliana MSL1 A320V
分子名称: DODECANE, Mechanosensitive ion channel protein 1, mitochondrial
著者Deng, Z, Zhang, J, Yuan, P.
登録日2020-02-22
公開日2020-08-05
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural mechanism for gating of a eukaryotic mechanosensitive channel of small conductance.
Nat Commun, 11, 2020
6FD5
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BU of 6fd5 by Molmil
Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 14 days post crystallization (with AMP and PPi products partially generated)
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, ...
著者Nioche, P, Huyet, J, Ozeir, M.
登録日2017-12-21
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase.
Cell Chem Biol, 25, 2018
4BZT
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BU of 4bzt by Molmil
The Solution Structure of the MLN 944-d(ATGCAT)2 Complex
分子名称: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA
著者Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G.
登録日2013-07-30
公開日2013-08-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
6CCB
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BU of 6ccb by Molmil
Crystal structure of 253-11 SOSIP trimer in complex with 10-1074 Fab
分子名称: 10-1074 FAB heavy chain, 10-1074 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Moyo, T, Ereno-Orbea, J, Dorfman, J, Julien, J.P.
登録日2018-02-06
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献Molecular Basis of Unusually High Neutralization Resistance in Tier 3 HIV-1 Strain 253-11.
J. Virol., 92, 2018
6HEF
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BU of 6hef by Molmil
Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P.
登録日2018-08-20
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.538 Å)
主引用文献Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
1U2A
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BU of 1u2a by Molmil
STEM LOOP IIA FROM U2SNRNA OF SACCHAROMYCES CEREVISIAE, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: RNA (5'-R(P*GP*GP*UP*CP*AP*GP*UP*GP*UP*AP*AP*CP*AP*AP*CP*UP*GP*AP*CP*C)-3')
著者Stallings, S.C, Moore, P.B.
登録日1997-08-19
公開日1998-03-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The structure of an essential splicing element: stem loop IIa from yeast U2 snRNA.
Structure, 5, 1997
3FQ5
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BU of 3fq5 by Molmil
Crystal Structure of d(CACGCG).d(CGCGTG) with 10mM MnCl2
分子名称: 5'-D(*CP*AP*CP*GP*CP*G)-3', 5'-D(*CP*GP*CP*GP*TP*G)-3', MANGANESE (II) ION
著者Venkadesh, S, Kannan, R, Mandal, P.K, Gautham, N.
登録日2009-01-07
公開日2009-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of d(CACGCG).d(CGCGTG) with 10mM MnCl2
To be Published
5NB0
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BU of 5nb0 by Molmil
Crystal structures of homooligomers of collagen type IV. alpha3NC1
分子名称: CHLORIDE ION, Collagen alpha-3(IV) chain
著者Casino, P, Marina, A.
登録日2017-02-28
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of collagen IV globular domains: insight into associated pathologies, folding and network assembly.
IUCrJ, 5, 2018
6FHC
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BU of 6fhc by Molmil
Crystal Structure of the Amyloid-like hexametric polymorph of the LFKFFK segment from the S. aureus PSMalpha3
分子名称: CARBONATE ION, CHLORIDE ION, Psm alpha-3, ...
著者Landau, M, Colletier, J.-P.
登録日2018-01-14
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Extreme amyloid polymorphism in Staphylococcus aureus virulent PSM alpha peptides.
Nat Commun, 9, 2018
8V4N
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BU of 8v4n by Molmil
Myxococcus xanthus EncA 3xHis pore mutant with T=1 icosahedral symmetry
分子名称: Type 1 encapsulin shell protein EncA
著者Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H.
登録日2023-11-29
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages.
Proc.Natl.Acad.Sci.USA, 121, 2024
6MFH
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Mutated Uronate Dehydrogenase
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Mutated Uronate Dehydrogenase, PHOSPHATE ION
著者Sankaran, B, Pereira, J.H, Chan, V, Zwart, P.H, Wagschal, K.
登録日2018-09-11
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Chromohalobacter salixigens uronate dehydrogenase: Directed evolution for improved thermal stability and mutant CsUDH-inc X-ray crystal structure
Process Biochem, 2020
3N7B
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BU of 3n7b by Molmil
SgrAI bound to secondary site DNA and Ca(II)
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*TP*CP*CP*AP*CP*CP*GP*GP*GP*GP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*CP*CP*CP*CP*CP*GP*GP*TP*GP*GP*AP*CP*T)-3'), ...
著者Horton, N.C, Little, E.J, Dunten, P.W.
登録日2010-05-26
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA.
Acta Crystallogr.,Sect.D, 67, 2011
5EDT
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BU of 5edt by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9
分子名称: 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C.
登録日2015-10-22
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016

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