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6PYS
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BU of 6pys by Molmil
Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one)
分子名称: (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-07-30
公開日2019-08-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
6PYU
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BU of 6pyu by Molmil
Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one)
分子名称: (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-07-30
公開日2019-08-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
353D
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BU of 353d by Molmil
CRYSTAL STRUCTURE OF DOMAIN A OF THERMUS FLAVUS 5S RRNA AND THE CONTRIBUTION OF WATER MOLECULES TO ITS STRUCTURE
分子名称: RNA (5'-R(*AP*UP*CP*CP*CP*CP*CP*GP*UP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*GP*CP*GP*GP*GP*GP*GP*AP*U)-3')
著者Betzel, C, Lorenz, S, Furste, J.P, Bald, R, Zhang, M, Schneider, T.R, Wilson, K.S, Erdmann, V.A.
登録日1997-09-29
公開日1997-11-10
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of domain A of Thermus flavus 5S rRNA and the contribution of water molecules to its structure.
FEBS Lett., 351, 1994
8RXN
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BU of 8rxn by Molmil
REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS
分子名称: FE (III) ION, RUBREDOXIN, SULFATE ION
著者Dauter, Z, Sieker, L, Wilson, K.
登録日1991-08-26
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Refinement of rubredoxin from Desulfovibrio vulgaris at 1.0 A with and without restraints.
Acta Crystallogr.,Sect.B, 48, 1992
3ZSE
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BU of 3zse by Molmil
3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca
分子名称: 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose
著者Lammerts van Bueren, A, Otani, S, Friis, E.P, S Wilson, K, Davies, G.J.
登録日2011-06-27
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Three-Dimensional Structure of a Thermophilic Family Gh11 Xylanase from Thermobifida Fusca.
Acta Crystallogr.,Sect.F, 68, 2012
5V8Q
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BU of 5v8q by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
分子名称: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2017-03-22
公開日2017-05-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
1ZIS
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BU of 1zis by Molmil
Recombinant Lumazine synthase (hexagonal form)
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Lopez-Jaramillo, F.J.
登録日2005-04-27
公開日2006-10-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of recombinant Lumazine synthase (hexagonal form)
To be Published
6PYR
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BU of 6pyr by Molmil
Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one)
分子名称: (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-07-30
公開日2019-08-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
6MUL
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BU of 6mul by Molmil
Murine PI3K delta kinsae domain - cpd 1
分子名称: 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Fischmann, T.O.
登録日2018-10-23
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
6MUM
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BU of 6mum by Molmil
Murine PI3K delta kinsae domain - cpd 3
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone
著者Fischmann, T.O.
登録日2018-10-23
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
1B7V
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BU of 1b7v by Molmil
Structure of the C-553 cytochrome from Bacillus pasteruii to 1.7 A resolution
分子名称: HEME C, PROTEIN (CYTOCHROME C-553)
著者Gonzalez, A, Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S.
登録日1999-01-22
公開日2000-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
2J63
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BU of 2j63 by Molmil
Crystal structure of AP endonuclease LMAP from Leishmania major
分子名称: AP-ENDONUCLEASE
著者Vidal, A.E, Harkiolaki, M, Gallego, C, Castillo-Acosta, V.M, Ruiz-Perez, L.M, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2006-09-25
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structure and DNA Repair Activities of the Ap Endonuclease from Leishmania Major.
J.Mol.Biol., 373, 2007
5P21
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BU of 5p21 by Molmil
REFINED CRYSTAL STRUCTURE OF THE TRIPHOSPHATE CONFORMATION OF H-RAS P21 AT 1.35 ANGSTROMS RESOLUTION: IMPLICATIONS FOR THE MECHANISM OF GTP HYDROLYSIS
分子名称: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Pai, E.F, Wittinghofer, A, Kabsch, W.
登録日1990-04-30
公開日1992-01-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis.
EMBO J., 9, 1990
1TPL
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BU of 1tpl by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF TYROSINE PHENOL-LYASE
分子名称: SULFATE ION, TYROSINE PHENOL-LYASE
著者Antson, A, Demidkina, T, Dauter, Z, Harutyunyan, E, Wilson, K.
登録日1992-11-25
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of tyrosine phenol-lyase.
Biochemistry, 32, 1993
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
1DEA
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BU of 1dea by Molmil
STRUCTURE AND CATALYTIC MECHANISM OF GLUCOSAMINE 6-PHOSPHATE DEAMINASE FROM ESCHERICHIA COLI AT 2.1 ANGSTROMS RESOLUTION
分子名称: GLUCOSAMINE 6-PHOSPHATE DEAMINASE, PHOSPHATE ION
著者Oliva, G, Fontes, M.R.M, Garratt, R.C, Altamirano, M.M, Calcagno, M.L, Horjales, E.
登録日1995-09-13
公開日1996-01-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and catalytic mechanism of glucosamine 6-phosphate deaminase from Escherichia coli at 2.1 A resolution.
Structure, 3, 1995
1NTN
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BU of 1ntn by Molmil
THE CRYSTAL STRUCTURE OF NEUROTOXIN-I FROM NAJA NAJA OXIANA AT 1.9 ANGSTROMS RESOLUTION
分子名称: NEUROTOXIN I
著者Mikhailov, A.M, Nickitenko, A.V, Vainshtein, B.K, Betzel, C, Wilson, K.
登録日1994-09-26
公開日1995-05-08
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Three-dimensional structure of neurotoxin-1 from Naja naja oxiana venom at 1.9 A resolution.
Febs Lett., 320, 1993
1RFE
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BU of 1rfe by Molmil
Crystal structure of conserved hypothetical protein Rv2991 from Mycobacterium tuberculosis
分子名称: hypothetical protein Rv2991
著者Benini, S, Haouz, A, Proux, F, Betton, J.M, Alzari, P, Dodson, G.G, Wilson, K.S, TB Structural Genomics Consortium (TBSGC)
登録日2003-11-08
公開日2004-12-28
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of Rv2991 from Mycobacterium tuberculosis: An F420binding protein with unknown function.
J. Struct. Biol., 2019
1L13
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BU of 1l13 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L12
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BU of 1l12 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L04
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BU of 1l04 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L05
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BU of 1l05 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1L15
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BU of 1l15 by Molmil
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme.
Nature, 330, 1987
1GMP
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COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION
分子名称: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE SA, SULFATE ION
著者Sevcik, J, Hill, C, Dauter, Z, Wilson, K.
登録日1992-10-01
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993

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