5VEU
 
 | | Human Cytochrome P450 3A5 (CYP3A5) | | Descriptor: | Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | | Authors: | Hsu, M.-H, Johnson, E.F. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018
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5VH2
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5AAF
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14a) | | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A | | Authors: | McIntyre, P.J, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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8XFY
 | | The Crystal Structure of RSK2 from Biortus. | | Descriptor: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3 | | Authors: | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | | Deposit date: | 2023-12-14 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Crystal Structure of RSK2 from Biortus.
To Be Published
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6Q2U
 | | Structure of Cytochrome C4 from Pseudomonas aeruginosa | | Descriptor: | Cytochrome c4, HEME C | | Authors: | Carpenter, J.M, Zhong, F, Pletneva, E.V, Ragusa, M.J. | | Deposit date: | 2019-08-08 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and redox properties of the diheme electron carrier cytochrome c4from Pseudomonas aeruginosa.
J.Inorg.Biochem., 203, 2019
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6F4H
 | | Crystal structure of the Drosophila melanogaster SNF/U1-SL2 complex | | Descriptor: | CITRATE ANION, U1 small nuclear ribonucleoprotein A, U1-SL2 | | Authors: | Weber, G, Holton, N, Hall, K.B, DeKoster, G, Wahl, M.C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular principles underlying dual RNA specificity in the Drosophila SNF protein.
Nat Commun, 9, 2018
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7S48
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6Q3F
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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7S6V
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8WM0
 | | Crystal structure of TNIK-thiopeptide wTP3 complex | | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2023-10-01 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
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6QCB
 | | Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9 | | Descriptor: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ... | | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | | Deposit date: | 2018-12-27 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
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7S46
 | | PAK4cat (D440N/S474E) in complex with Integrin beta5 760-770 peptide | | Descriptor: | Integrin beta-5, Isoform 2 of Serine/threonine-protein kinase PAK 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Ha, B.H, Boggon, T.J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for integrin adhesion receptor binding to p21-activated kinase 4 (PAK4)
Commun Biol, 5, 2022
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5VD5
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4PDP
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7SJB
 | | Crystal structure of dehaloperoxidase B in complex with alpha-terpinene | | Descriptor: | 1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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5VET
 | | PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE | | Descriptor: | Phospholipase A2 VRV-PL-VIIIa | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2018-06-20 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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7SJE
 | | Crystal structure of dehaloperoxidase B in complex with p-cymene | | Descriptor: | 1-methyl-4-(1-methylethyl)benzene, Dehaloperoxidase B, OXYGEN MOLECULE, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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4PFO
 | | Myosin VI motor domain in the Pi release state, space group P212121 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2014-04-30 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
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6Q6P
 | | Antarctic fish cytoglobin 1 from D.mawsoni | | Descriptor: | Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C. | | Deposit date: | 2018-12-11 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
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7SJD
 | | Crystal structure of dehaloperoxidase B in complex with terpinolene | | Descriptor: | 1-methyl-4-(propan-2-ylidene)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Yun, D, Malewschik, T. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7SJI
 | | Crystal structure of dehaloperoxidase B in complex with R-(+)-limonene | | Descriptor: | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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6QDZ
 | | P38 alpha complex with AR117045 | | Descriptor: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Brown, D.G, Hurley, C, Irving, S.L. | | Deposit date: | 2019-01-03 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | P38 alpha complex with AR117045
To Be Published
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6F88
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6F9Y
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6QHO
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