8P64
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![BU of 8p64 by Molmil](/molmil-images/mine/8p64) | Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | Authors: | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | Deposit date: | 2023-05-25 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. Rsc Med Chem, 15, 2024
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7V9N
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![BU of 7v9n by Molmil](/molmil-images/mine/7v9n) | Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in closed state | Descriptor: | ACETATE ION, Alanine aminopeptidase, CALCIUM ION, ... | Authors: | Zhao, C, Zhao, N.L, Bao, R. | Deposit date: | 2021-08-26 | Release date: | 2022-05-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases. Nat.Chem.Biol., 18, 2022
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6OCX
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![BU of 6ocx by Molmil](/molmil-images/mine/6ocx) | |
7SFP
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8OZS
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![BU of 8ozs by Molmil](/molmil-images/mine/8ozs) | Populus tremula stable protein 1 with N-terminal binding peptide extension with hemin | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-09 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2023
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6OE1
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7RXK
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6U2X
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![BU of 6u2x by Molmil](/molmil-images/mine/6u2x) | Structure of ALDH7A1 mutant E399G complexed with NAD | Descriptor: | Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-08-20 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy. J. Inherit. Metab. Dis., 43, 2020
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8OZO
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![BU of 8ozo by Molmil](/molmil-images/mine/8ozo) | Populus tremula stable protein 1 with N-terminal binding peptide extension | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-09 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2024
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6OE5
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7RY4
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![BU of 7ry4 by Molmil](/molmil-images/mine/7ry4) | Multi-conformer model of Ketosteroid Isomerase Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to a transition state analog at 250 K | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-08-24 | Release date: | 2022-11-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ensemble-function relationships to dissect mechanisms of enzyme catalysis. Sci Adv, 8, 2022
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7SJB
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![BU of 7sjb by Molmil](/molmil-images/mine/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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6U8H
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![BU of 6u8h by Molmil](/molmil-images/mine/6u8h) | BRD2-BD1 in complex with the cyclic peptide 3.2_2 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, AMINO GROUP, Bromodomain-containing protein 2, ... | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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7NFT
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6U8M
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![BU of 6u8m by Molmil](/molmil-images/mine/6u8m) | BRD4-BD1 in complex with the cyclic peptide 3.2_1 | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_1 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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8C5D
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![BU of 8c5d by Molmil](/molmil-images/mine/8c5d) | Glutathione transferase P1-1 from Mus musculus | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Papageorgiou, A.C. | Deposit date: | 2023-01-06 | Release date: | 2023-05-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Inhibition Analysis and High-Resolution Crystal Structure of Mus musculus Glutathione Transferase P1-1. Biomolecules, 13, 2023
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6U3U
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![BU of 6u3u by Molmil](/molmil-images/mine/6u3u) | Crystal Structure of Shiga Toxin 2K | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ... | Authors: | Zhang, Y.Z, He, X.H. | Deposit date: | 2019-08-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2. Microorganisms, 8, 2019
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7VV9
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7VVG
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6OFR
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6LUH
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![BU of 6luh by Molmil](/molmil-images/mine/6luh) | High resolution structure of N(omega)-hydroxy-L-arginine hydrolase | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase | Authors: | Oda, K, Matoba, Y. | Deposit date: | 2020-01-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of an Nomega-hydroxy-L-arginine hydrolase found in the D-cycloserine biosynthetic pathway. Acta Crystallogr D Struct Biol, 76, 2020
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8CGC
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![BU of 8cgc by Molmil](/molmil-images/mine/8cgc) | Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ... | Authors: | Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E. | Deposit date: | 2023-02-03 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form. J.Med.Chem., 66, 2023
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7RU7
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![BU of 7ru7 by Molmil](/molmil-images/mine/7ru7) | Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis | Descriptor: | DI(HYDROXYETHYL)ETHER, L-glutamyl-[BtrI acyl-carrier protein] decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Arenas, L.A.R, Paiva, F.C.R, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2021-08-16 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis J.Mol.Struct., 1267, 2022
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4ZTJ
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![BU of 4ztj by Molmil](/molmil-images/mine/4ztj) | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | Descriptor: | (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Klein, D.J, Patel, S. | Deposit date: | 2015-05-14 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
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6OI3
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![BU of 6oi3 by Molmil](/molmil-images/mine/6oi3) | Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide | Descriptor: | GLYCEROL, Monomethyl H3R2 peptide, SULFATE ION, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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