7ZXD
 
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | 分子名称: | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | | 登録日 | 2022-05-20 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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5EH2
 | | Human PRDM9 allele-A ZnF Domain with Associated Recombination Hotspot DNA Sequence III | | 分子名称: | DNA (5'-D(*AP*CP*AP*CP*GP*TP*GP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*CP*CP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*CP*TP*CP*CP*CP*TP*AP*GP*CP*CP*AP*CP*GP*TP*G)-3'), Histone-lysine N-methyltransferase PRDM9, ... | | 著者 | Patel, A, Horton, J.R, Wilson, G.G, Zhang, X, Cheng, X. | | 登録日 | 2015-10-27 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural basis for human PRDM9 action at recombination hot spots.
Genes Dev., 30, 2016
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3E3D
 | | Structure of hen egg white lysozyme with the magic triangle I3C | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C | | 著者 | Beck, T, Gruene, T, Sheldrick, G.M. | | 登録日 | 2008-08-07 | | 公開日 | 2008-10-28 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
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3E3P
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6SNX
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide | | 分子名称: | BENZAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-08-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SOD
 | | Fragment N14056a in complex with MAP kinase p38-alpha | | 分子名称: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Nichols, C.E, De Nicola, G.F. | | 登録日 | 2019-08-29 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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7ZSU
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | | 登録日 | 2022-05-09 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6HMC
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | | 分子名称: | 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha' | | 著者 | Niefind, K, Lindenblatt, D, Dimper, V, Jose, J, Le Borgne, M. | | 登録日 | 2018-09-12 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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5ESI
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant | | 分子名称: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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7ZLZ
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | | 登録日 | 2022-04-17 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6SPJ
 | | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 1 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | | 登録日 | 2019-09-01 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
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6HOR
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8A9R
 | | Tetragonal Hen Egg-White (HEW) Lysozyme soaked in reduced resazurin in a glovebox and flash-cooled using a miniature-airlock | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme | | 著者 | van der Linden, P, Engilberge, S, Atta, M, Carpentier, P. | | 登録日 | 2022-06-29 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A miniature airlock system to aid the cryo-cooling of protein crystals grown under anoxic conditions
J.Appl.Crystallogr., 2022
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6VD5
 | | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate Trichlorophenol | | 分子名称: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase B, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | 登録日 | 2019-12-23 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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6UVV
 | | BACE-1 in complex with compound #17 | | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6HPV
 | | Crystal structure of mouse fetuin-B | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | | 著者 | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | | 登録日 | 2018-09-22 | | 公開日 | 2019-02-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
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5EET
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3EC0
 | | High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A | | 分子名称: | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | | 著者 | Kovalevsky, A.Y, Weber, I.T. | | 登録日 | 2008-08-28 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
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6HQM
 | | Crystal structure of GcoA F169I bound to guaiacol | | 分子名称: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6UWY
 | | DYRK1A bound to a harmine derivative | | 分子名称: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | | 著者 | Khamrui, S, Lazarus, M.B. | | 登録日 | 2019-11-05 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
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7ZIC
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7ZZL
 | | Crystal structure of CYP106A1 | | 分子名称: | COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Carius, Y, Kiss, F, Hutter, M, Bernhardt, R, Lancaster, C.R.D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion.
Febs Lett., 596, 2022
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6HNF
 | | Structure in solution of human fibronectin type III-domain 14 | | 分子名称: | Fibronectin | | 著者 | Zhong, X, Arnolds, O, Krenczyk, O, Gajewski, J, Puetz, S, Herrmann, C, Stoll, R. | | 登録日 | 2018-09-14 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Structure in Solution of Fibronectin Type III Domain 14 Reveals Its Synergistic Heparin Binding Site.
Biochemistry, 57, 2018
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5EI9
 | | Human PRDM9 allele-A ZnF Domain with Associated Recombination Hotspot DNA Sequence I | | 分子名称: | DNA (5'-D(*AP*TP*CP*CP*AP*CP*GP*TP*GP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*TP*CP*CP*CP*TP*AP*GP*CP*CP*AP*CP*GP*TP*GP*GP*A)-3'), Histone-lysine N-methyltransferase PRDM9, ... | | 著者 | Patel, A, Horton, J.R, Wilson, G.G, Zhang, X, Cheng, X. | | 登録日 | 2015-10-29 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.921 Å) | | 主引用文献 | Structural basis for human PRDM9 action at recombination hot spots.
Genes Dev., 30, 2016
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6HT2
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