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5ODM
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NtiPr polyamide in complex with 5'CGATGTACTACG3
分子名称: 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium, 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID, ...
著者Padroni, G, Parkinson, J, Burley, G.A.
登録日2017-07-06
公開日2017-12-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides.
Nucleic Acids Res., 46, 2018
4FIA
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BU of 4fia by Molmil
Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
分子名称: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Stout, C.D, Pikuleva, I.A, Mast, N.
登録日2012-06-08
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
5OE2
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BU of 5oe2 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6WVD
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BU of 6wvd by Molmil
Human JAGN1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Green fluorescent protein, Protein jagunal homolog 1 chimera
著者Yang, Y, Liu, S, Li, W.
登録日2020-05-05
公開日2021-01-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
4OZU
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BU of 4ozu by Molmil
Crystal Structure of WD40 domain from Toxoplasma gondii coronin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Coronin
著者Kallio, J.P, Kursula, I.
登録日2014-02-19
公開日2014-08-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of Toxoplasma gondii coronin, an actin-binding protein that relocalizes to the posterior pole of invasive parasites and contributes to invasion and egress.
Faseb J., 28, 2014
4O74
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BU of 4o74 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ...
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
3UU0
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BU of 3uu0 by Molmil
Crystal structure of L-rhamnose isomerase from Bacillus halodurans in complex with Mn
分子名称: L-rhamnose isomerase, MANGANESE (II) ION
著者Doan, T.T.N, Prabhu, P, Kim, J.K, Jeya, M, Kang, L.W, Lee, J.K.
登録日2011-11-27
公開日2012-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based studies on the metal binding of two-metal-dependent sugar isomerases.
Febs J., 281, 2014
2Y3J
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BU of 2y3j by Molmil
Structure of segment AIIGLM from the amyloid-beta peptide (Ab, residues 30-35)
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
4YYM
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BU of 4yym by Molmil
Crystal structure of TAF1 BD2 Bromodomain bound to a butyryllysine peptide
分子名称: CALCIUM ION, Histone H4, Transcription initiation factor TFIID subunit 1
著者Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
登録日2015-03-24
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
3UVA
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BU of 3uva by Molmil
Crystal structure of L-rhamnose isomerase mutant W38F from Bacillus halodurans in complex with Mn
分子名称: L-Rhamnose isomerase, MANGANESE (II) ION
著者Doan, T.T.N, Prabhu, P, Jeya, M, Kim, J.K, Kang, L.W, Lee, J.K.
登録日2011-11-29
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structure-based studies on the metal binding of two-metal-dependent sugar isomerases.
Febs J., 281, 2014
4O7E
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BU of 4o7e by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B
分子名称: 1,2-ETHANEDIOL, 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4YYT
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BU of 4yyt by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5).
分子名称: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-24
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
6WZ2
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BU of 6wz2 by Molmil
Co-bound structure of an engineered protein trimer, TriCyt3
分子名称: CHLORIDE ION, COBALT (II) ION, HEME C, ...
著者Tezcan, F.A, Kakkis, A.
登録日2020-05-13
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0006 Å)
主引用文献Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
5OGX
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BU of 5ogx by Molmil
Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB.
分子名称: BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ...
著者Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E.
登録日2017-07-13
公開日2018-07-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
2XJZ
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BU of 2xjz by Molmil
Crystal structure of the LMO2:LDB1-LID complex, C2 crystal form
分子名称: CHLORIDE ION, LIM DOMAIN-BINDING PROTEIN 1, RHOMBOTIN-2, ...
著者El Omari, K, Karia, D, Porcher, C, Mancini, E.J.
登録日2010-07-06
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Leukemia Oncogene Lmo2: Implications for the Assembly of a Hematopoietic Transcription Factor Complex.
Blood, 117, 2011
4YZP
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BU of 4yzp by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis
分子名称: Cellulose hydrolase
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2015-03-25
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
3UVX
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BU of 3uvx by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-30
公開日2012-01-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2XGY
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BU of 2xgy by Molmil
Complex of Rabbit Endogenous Lentivirus (RELIK)Capsid with Cyclophilin A
分子名称: GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, RELIK CAPSID N-TERMINAL DOMAIN
著者Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A.
登録日2010-06-08
公開日2010-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
6WZ7
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BU of 6wz7 by Molmil
Mn-bound structure of a TriCyt3 variant
分子名称: CALCIUM ION, CHLORIDE ION, HEME C, ...
著者Tezcan, F.A, Kakkis, A.
登録日2020-05-13
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
2XVH
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BU of 2xvh by Molmil
Crystal structure of bacterial flavin containing monooxygenase in complex with NADP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN-CONTAINING MONOOXYGENASE, ...
著者Cho, H.J, Kang, B.S.
登録日2010-10-26
公開日2011-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural and Functional Analysis of Bacterial Flavin-Containing Monooxygenase Reveals its Ping-Pong-Type Reaction Mechanism.
J.Struct.Biol., 175, 2011
5OKI
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BU of 5oki by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC in complex with a 63 kDa fragment of DNA Polymerase epsilon
分子名称: Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ...
著者Grabarczyk, D.B, Kisker, C.
登録日2017-07-25
公開日2017-12-20
最終更新日2018-01-10
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018
5AK4
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BU of 5ak4 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 3-METHYL-4-PHENYL-1H-PYRAZOLE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-02
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
登録日2010-10-19
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
2Y2A
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BU of 2y2a by Molmil
Structure of segment KLVFFA from the amyloid-beta peptide (Ab, residues 16-21), alternate polymorph I
分子名称: ACETATE ION, AMYLOID BETA A4 PROTEIN
著者Colletier, J, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-14
公開日2011-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
著者Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2010-05-07
公開日2010-05-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014

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