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6W2G
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BU of 6w2g by Molmil
Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell
分子名称: 1,2-ETHANEDIOL, UV excision repair protein RAD23 homolog A
著者Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
登録日2020-03-05
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
5NEV
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BU of 5nev by Molmil
CDK2/Cyclin A in complex with compound 73
分子名称: 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G.
登録日2017-03-12
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5MCW
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BU of 5mcw by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2)
分子名称: Cellular tumor antigen p53, DNA, FORMYL GROUP, ...
著者Golovenko, D, Rozenberg, H, Shakked, Z.
登録日2016-11-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
3JZA
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BU of 3jza by Molmil
Crystal structure of human Rab1b in complex with the GEF domain of DrrA/SidM from Legionella pneumophila
分子名称: PHOSPHATE ION, Ras-related protein Rab-1B, Uncharacterized protein DrrA
著者Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2009-09-23
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
3P3H
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BU of 3p3h by Molmil
Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Salmon, A.J.
登録日2010-10-04
公開日2011-09-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
3P55
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BU of 3p55 by Molmil
Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Salmon, A.J.
登録日2010-10-07
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
3KUN
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BU of 3kun by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
6W2H
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Crystal Structure of the Internal UBA Domain of HHR23A
分子名称: SULFATE ION, UV excision repair protein RAD23 homolog A
著者Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
登録日2020-03-05
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A.
Biochemistry, 61, 2022
6W2I
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BU of 6w2i by Molmil
Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A
分子名称: GLYCEROL, UV excision repair protein RAD23 homolog A
著者Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
登録日2020-03-05
公開日2021-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
5NRG
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BU of 5nrg by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with RB02
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M.
登録日2017-04-23
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.442 Å)
主引用文献Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus.
Nucleic Acids Res., 45, 2017
3JZ9
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BU of 3jz9 by Molmil
Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila
分子名称: Uncharacterized protein DrrA
著者Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2009-09-23
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
6TPE
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BU of 6tpe by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
分子名称: 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
著者Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A.
登録日2019-12-13
公開日2020-06-10
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
5A2G
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BU of 5a2g by Molmil
An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters
分子名称: CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION
著者Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M.
登録日2015-05-19
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters.
Environ.Sci.Tech., 50, 2016
3KUO
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BU of 3kuo by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
3L42
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BU of 3l42 by Molmil
PWWP domain of human bromodomain and PHD finger containing protein 1
分子名称: Peregrin, UNKNOWN ATOM OR ION
著者Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2009-12-18
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3LB4
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BU of 3lb4 by Molmil
Two-site competitive inhibition in dehaloperoxidase-hemoglobin
分子名称: 4-FLUOROPHENOL, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G.
登録日2010-01-07
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
1DWS
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BU of 1dws by Molmil
PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART)
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I.
登録日1999-12-11
公開日2000-03-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
3P26
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BU of 3p26 by Molmil
Crystal structure of S. cerevisiae Hbs1 protein (apo-form), a translational GTPase involved in RNA quality control pathways and interacting with Dom34/Pelota
分子名称: Elongation factor 1 alpha-like protein
著者van den Elzen, A, Henri, J, Lazar, N, Gas, M.E, Durand, D, Lacroute, F, Nicaise, M, van Tilbeurgh, H, Sraphin, B, Graille, M, Paris-Sud Yeast Structural Genomics (YSG)
登録日2010-10-01
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dissection of Dom34-Hbs1 reveals independent functions in two RNA quality control pathways.
Nat.Struct.Mol.Biol., 17, 2010
5DIE
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BU of 5die by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol
分子名称: (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-08-31
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1SN1
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BU of 1sn1 by Molmil
STRUCTURE OF SCORPION NEUROTOXIN BMK M1
分子名称: PROTEIN (NEUROTOXIN BMK M1)
著者He, X.L, Li, H.M, Liu, X.Q, Zeng, Z.H, Wang, D.C.
登録日1998-11-12
公開日1999-11-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of two alpha-like scorpion toxins: non-proline cis peptide bonds and implications for new binding site selectivity on the sodium channel.
J.Mol.Biol., 292, 1999
1UO4
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BU of 1uo4 by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
分子名称: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene
著者Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
登録日2003-09-15
公開日2004-10-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
3P44
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BU of 3p44 by Molmil
Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Salmon, A.J.
登録日2010-10-06
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
3P27
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BU of 3p27 by Molmil
Crystal structure of S. cerevisiae Hbs1 protein (GDP-bound form), a translational GTPase involved in RNA quality control pathways and interacting with Dom34/Pelota
分子名称: Elongation factor 1 alpha-like protein, GUANOSINE-5'-DIPHOSPHATE
著者van den Elzen, A, Henri, J, Lazar, N, Gas, M.E, Durand, D, Lacroute, F, Nicaise, M, van Tilbeurgh, H, Sraphin, B, Graille, M, Paris-Sud Yeast Structural Genomics (YSG)
登録日2010-10-01
公開日2010-11-17
最終更新日2012-03-14
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Dissection of Dom34-Hbs1 reveals independent functions in two RNA quality control pathways.
Nat.Struct.Mol.Biol., 17, 2010
1SNB
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BU of 1snb by Molmil
STRUCTURE OF SCORPION NEUROTOXIN BMK M8
分子名称: NEUROTOXIN BMK M8
著者Wang, D.C, Zeng, Z.H, Li, H.M.
登録日1997-03-12
公開日1997-05-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of an acidic neurotoxin from scorpion Buthus martensii Karsch at 1.85 A resolution.
J.Mol.Biol., 261, 1996
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016

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