1GNO
 
 | | HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR) | | 分子名称: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | 著者 | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | | 登録日 | 1996-05-04 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
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4ZV6
 | | Crystal structure of the artificial alpharep-7 octarellinV.1 complex | | 分子名称: | AlphaRep-7, Octarellin V.1 | | 著者 | Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. | | 登録日 | 2015-05-18 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
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1GWE
 | | Atomic resolution structure of Micrococcus Lysodeikticus catalase | | 分子名称: | Catalase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R. | | 登録日 | 2002-03-15 | | 公開日 | 2002-04-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
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5AGE
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND | | 分子名称: | 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | 登録日 | 2015-01-29 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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4ZXK
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1GWF
 | | Compound II structure of Micrococcus Lysodeikticus catalase | | 分子名称: | ACETATE ION, Catalase, OXYGEN ATOM, ... | | 著者 | Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R. | | 登録日 | 2002-03-15 | | 公開日 | 2002-04-26 | | 最終更新日 | 2018-06-20 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
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1GZ7
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1H08
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | 分子名称: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2002-06-11 | | 公開日 | 2003-07-11 | | 最終更新日 | 2011-10-12 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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5A9J
 | | Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form | | 分子名称: | DNA POLYMERASE THETA | | 著者 | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2015-07-21 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
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5AIF
 | | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample-Native | | 分子名称: | IMIDAZOLE, LIMONENE-1,2-EPOXIDE HYDROLASE | | 著者 | Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D. | | 登録日 | 2015-02-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
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5A9F
 | | Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA POLYMERASE THETA, MAGNESIUM ION, ... | | 著者 | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2015-07-21 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
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7KCW
 | | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with nafcillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | | 著者 | Alexander, J.A, Strynadka, N.C. | | 登録日 | 2020-10-07 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
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6BIF
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one | | 分子名称: | 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | 登録日 | 2017-11-01 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one
To Be Published
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1HLK
 | | METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR | | 分子名称: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, BETA-LACTAMASE, TYPE II, ... | | 著者 | Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | | 登録日 | 2000-12-01 | | 公開日 | 2001-11-30 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Antimicrob.Agents Chemother., 46, 2002
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6BI1
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2R)-2-amino-3-(benzyloxy)propan-1-ol | | 分子名称: | DIMETHYL SULFOXIDE, O-benzyl-L-serine, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | 登録日 | 2017-10-31 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2R)-2-amino-3-(benzyloxy)propan-1-ol
To Be Published
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1IN6
 | | THERMOTOGA MARITIMA RUVB K64R MUTANT | | 分子名称: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, ... | | 著者 | Putnam, C.D, Clancy, S.B, Tsuruta, H, Wetmur, J.G, Tainer, J.A. | | 登録日 | 2001-05-12 | | 公開日 | 2001-08-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and mechanism of the RuvB Holliday junction branch migration motor.
J.Mol.Biol., 311, 2001
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6BJ7
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine | | 分子名称: | 4-chloro-6-methylpyrimidin-2-amine, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | 登録日 | 2017-11-05 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine
To Be Published
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1IN7
 | | THERMOTOGA MARITIMA RUVB R170A | | 分子名称: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, HOLLIDAY JUNCTION DNA HELICASE RUVB | | 著者 | Putnam, C.D, Clancy, S.B, Tsuruta, H, Wetmur, J.G, Tainer, J.A. | | 登録日 | 2001-05-12 | | 公開日 | 2001-08-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure and mechanism of the RuvB Holliday junction branch migration motor.
J.Mol.Biol., 311, 2001
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5AG5
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | 分子名称: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | 登録日 | 2015-01-29 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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5AG6
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | 分子名称: | (2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | 登録日 | 2015-01-29 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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1J8A
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5A4C
 | | FGFR1 ligand complex | | 分子名称: | 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | 著者 | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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1IN5
 | | THERMOGOTA MARITIMA RUVB A156S MUTANT | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, HOLLIDAY JUNCTION DNA HELICASE RUVB | | 著者 | Putnam, C.D, Clancy, S.B, Tsuruta, H, Gonzalez, S, Wetmur, J.G, Tainer, J.A. | | 登録日 | 2001-05-12 | | 公開日 | 2001-08-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure and mechanism of the RuvB Holliday junction branch migration motor.
J.Mol.Biol., 311, 2001
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1II7
 | | Crystal structure of P. furiosus Mre11 with manganese and dAMP | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mre11 nuclease, ... | | 著者 | Hopfner, K.-P, Karcher, A, Craig, L, Woo, T.T, Carney, J.P, Tainer, J.A. | | 登録日 | 2001-04-20 | | 公開日 | 2001-05-30 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural biochemistry and interaction architecture of the DNA double-strand break repair Mre11 nuclease and Rad50-ATPase.
Cell(Cambridge,Mass.), 105, 2001
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1IKJ
 | | 1.27 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH IMIDAZOLE | | 分子名称: | IMIDAZOLE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Roberts, S.A, Weichsel, A, Qui, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R. | | 登録日 | 2001-05-03 | | 公開日 | 2001-10-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
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