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PDB: 34568 件
7P75
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Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions in substrate-free state
分子名称: Deoxyribose-phosphate aldolase
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
登録日2021-07-19
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
6ZEA
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BU of 6zea by Molmil
Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
分子名称: (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2-ETHANEDIOL, ...
著者Eger, E, Sharma, M, Kroutil, W, Grogan, G.
登録日2020-06-16
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
To Be Published
6VIY
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BU of 6viy by Molmil
BRD2_Bromodomain2 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
5C6R
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BU of 5c6r by Molmil
Crystal structure of PH domain of ASAP1
分子名称: Arf-GAP, PHOSPHATE ION, TRIETHYLENE GLYCOL
著者Xia, D, Tang, W.K.
登録日2015-06-23
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for Cooperative Binding of Anionic Phospholipids to the PH Domain of the Arf GAP ASAP1.
Structure, 23, 2015
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
分子名称: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
著者Oh, A, Tam, C, Wang, W.
登録日2015-08-26
公開日2016-01-27
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5YSM
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BU of 5ysm by Molmil
Crystal Structure Analysis of Rif16
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-14
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
2C6P
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BU of 2c6p by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-11
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
7OZD
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BU of 7ozd by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34.
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
4LKJ
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The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
3CPF
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BU of 3cpf by Molmil
Crystal structure of human eukaryotic translation initiation factor EIF5A
分子名称: Eukaryotic translation initiation factor 5A-1, UNKNOWN ATOM OR ION
著者Nedyalkova, L, Tong, Y, Tempel, W, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-03-31
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human eIF5A1: insight into functional similarity of human eIF5A1 and eIF5A2.
Proteins, 75, 2009
7OZB
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BU of 7ozb by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7OZF
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FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-28
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
3JZN
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BU of 3jzn by Molmil
Structure of EED in apo form
分子名称: Polycomb protein EED
著者Xu, C, Bian, C.B, Ouyang, H, Qiu, W, MacKenzie, F, Min, J, Structural Genomics Consortium (SGC)
登録日2009-09-23
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
7OZY
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BU of 7ozy by Molmil
FGFR2 kinase domain (residues 461-763) in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-29
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
4RHY
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BU of 4rhy by Molmil
Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
著者Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W.
登録日2014-10-03
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3196 Å)
主引用文献First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
4RHX
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BU of 4rhx by Molmil
Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid
著者Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W.
登録日2014-10-03
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.0322 Å)
主引用文献First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
4COO
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BU of 4coo by Molmil
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ...
著者McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-01-29
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
2CIZ
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chloroperoxidase complexed with acetate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
7P0L
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Crystal structure of S.pombe Mdb1 BRCT domains in complex with a H2A phosphopeptide
分子名称: DNA damage response protein Mdb1, Histone H2A-beta
著者Day, M, Oliver, A.W, Pearl, L.H.
登録日2021-06-29
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
4CIM
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BU of 4cim by Molmil
Complex of a Bcl-w BH3 mutant with a BH3 domain
分子名称: 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2
著者Colman, P.M, Lee, E.F, Fairlie, W.D.
登録日2013-12-12
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
2CIW
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BU of 2ciw by Molmil
Chloroperoxidase iodide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, IODIDE ION, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
4RKV
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BU of 4rkv by Molmil
Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions
分子名称: CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ...
著者Fyfe, A.C, Dunten, P.W, Scott, W.G.
登録日2014-10-14
公開日2014-11-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions.
J.Mol.Biol., 427, 2015
5CFF
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BU of 5cff by Molmil
Crystal structure of Miranda/Staufen dsRBD5 complex
分子名称: Miranda, Staufen
著者Shan, Z, Wen, W.
登録日2015-07-08
公開日2015-10-21
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structural basis of Miranda-mediated Staufen localization during Drosophila neuroblast asymmetric division
Nat Commun, 6, 2015
5YNT
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BU of 5ynt by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903
分子名称: DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, IMIDAZOLE, ...
著者Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-10-25
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YOD
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BU of 5yod by Molmil
Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor
分子名称: BENZOIC ACID, NS2B cofactor, NS3 protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2017-10-27
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018

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