1Y5B
 
 | | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | | 分子名称: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ... | | 著者 | Di Fenza, A, Heine, A, Klebe, G. | | 登録日 | 2004-12-02 | | 公開日 | 2005-12-13 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
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1Y8Y
 | | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | 分子名称: | (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2 | | 著者 | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | | 登録日 | 2004-12-14 | | 公開日 | 2005-02-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
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1Y91
 | | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | 分子名称: | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2 | | 著者 | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | | 登録日 | 2004-12-14 | | 公開日 | 2005-02-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
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6D3K
 | | Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Interferon-induced, double-stranded RNA-activated protein kinase, ... | | 著者 | Erlandsen, H, Mayo, C.B, Robinson, V.L, Cole, J.L. | | 登録日 | 2018-04-16 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
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1Y4Q
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1Y5F
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1YHE
 | | T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (5.0MM IHP, 20% PEG) (10 test sets) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2005-01-07 | | 公開日 | 2005-01-18 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1Y7G
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1YHS
 | | Crystal structure of Pim-1 bound to staurosporine | | 分子名称: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | | 著者 | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | | 登録日 | 2005-01-10 | | 公開日 | 2005-01-25 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
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6CWS
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1YIE
 | | T-to-thigh quaternary transitions in human hemoglobin: betaW37A oxy (2.2MM IHP, 13% PEG) (1 test set) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2005-01-11 | | 公開日 | 2005-01-18 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YIL
 | | Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam | | 分子名称: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ... | | 著者 | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | | 登録日 | 2005-01-12 | | 公開日 | 2005-02-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1Y7Z
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6CHA
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6D3Z
 | | Protease SFTI complex | | 分子名称: | Plasminogen, Trypsin inhibitor 1 | | 著者 | Law, R.H.P, Wu, G. | | 登録日 | 2018-04-17 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
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1YE0
 | | T-To-T(High) quaternary transitions in human hemoglobin: betaV33A oxy (2MM IHP, 20% PEG) (1 test set) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2004-12-27 | | 公開日 | 2005-01-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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6D6H
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7TBC
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | | 分子名称: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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1YEU
 | | T-To-T(High) quaternary transitions in human hemoglobin: betaW37G OXY (10 test sets) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2004-12-28 | | 公開日 | 2005-01-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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1YH9
 | | T-to-T(High) quaternary transitions in human hemoglobin: HbA OXY (2MM IHP, 20% PEG) (10 test sets) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2005-01-07 | | 公開日 | 2005-01-18 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YHR
 | | T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (10.0MM IHP, 20% PEG) (10 test sets) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2005-01-10 | | 公開日 | 2005-01-18 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YG9
 | | The structure of mutant (N93Q) of bla g 2 | | 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, Aspartic protease Bla g 2, ... | | 著者 | Li, M, Gustchina, A, Wuenschmann, S, Pomes, A, Wlodawer, A. | | 登録日 | 2005-01-04 | | 公開日 | 2005-03-22 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of cockroach allergen Bla g 2, an unusual zinc binding aspartic protease with a novel mode of self-inhibition.
J.Mol.Biol., 348, 2005
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1YIV
 | | Structure of myelin P2 protein from Equine spinal cord | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LAURYL DIMETHYLAMINE-N-OXIDE, Myelin P2 protein | | 著者 | Hunter, D.J.B, MacMaster, R, Rozak, A.W, Riboldi-Tunnicliffe, A, Grifiths, I.R, Freer, A.A. | | 登録日 | 2005-01-13 | | 公開日 | 2005-07-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of myelin P2 protein from equine spinal cord.
Acta Crystallogr.,Sect.D, 61, 2005
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6DAA
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | 著者 | Sevrioukova, I.F. | | 登録日 | 2018-05-01 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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