8F7G
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![BU of 8f7g by Molmil](/molmil-images/mine/8f7g) | The condensation domain of surfactin A synthetase C in space group P212121 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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1NJ9
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![BU of 1nj9 by Molmil](/molmil-images/mine/1nj9) | Cocaine hydrolytic antibody 15A10 | Descriptor: | SODIUM ION, immunoglobulin heavy chain, immunoglobulin variable chain | Authors: | Larsen, N.A, de Prada, P, Deng, S.X, Zhu, X, Landry, D.W, Wilson, I.A. | Deposit date: | 2002-12-30 | Release date: | 2004-02-17 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystallographic and biochemical analysis of cocaine-degrading antibody 15A10. Biochemistry, 43, 2004
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8F7F
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![BU of 8f7f by Molmil](/molmil-images/mine/8f7f) | The condensation domain of surfactin A synthetase C in space group P43212 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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3LXS
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![BU of 3lxs by Molmil](/molmil-images/mine/3lxs) | |
4Y0H
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![BU of 4y0h by Molmil](/molmil-images/mine/4y0h) | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | Descriptor: | 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | Deposit date: | 2015-02-06 | Release date: | 2015-03-11 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) J. Am. Chem. Soc., 2015
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6DAA
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![BU of 6daa by Molmil](/molmil-images/mine/6daa) | Human CYP3A4 bound to an inhibitor | Descriptor: | 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 | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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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6DAJ
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![BU of 6daj by Molmil](/molmil-images/mine/6daj) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 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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3LAY
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![BU of 3lay by Molmil](/molmil-images/mine/3lay) | Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 | Descriptor: | Zinc resistance-associated protein | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-07 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 To be Published
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5NOS
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![BU of 5nos by Molmil](/molmil-images/mine/5nos) | Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one | Descriptor: | 5-azanyl-3~{H}-pyridin-6-one, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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8D04
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![BU of 8d04 by Molmil](/molmil-images/mine/8d04) | Hallucinated C2 protein assembly HALC2_062 | Descriptor: | HALC2_062 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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8EXW
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![BU of 8exw by Molmil](/molmil-images/mine/8exw) | Drosophila melanogaster indirect flight muscle myosin II (subfragment-1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isoform K of Myosin heavy chain, muscle, ... | Authors: | Caldwell, J.T, Huxford, T, Bernstein, S.I, Stec, B. | Deposit date: | 2022-10-25 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Drosophila melanogaster indirect flight muscle myosin II (subfragment-1) To Be Published
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8D07
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![BU of 8d07 by Molmil](/molmil-images/mine/8d07) | Hallucinated C3 protein assembly HALC3_109 | Descriptor: | HALC3_109 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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1EKL
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![BU of 1ekl by Molmil](/molmil-images/mine/1ekl) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 E35K | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-21 | Release date: | 1999-04-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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8D05
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![BU of 8d05 by Molmil](/molmil-images/mine/8d05) | Hallucinated C2 protein assembly HALC2_065 | Descriptor: | HALC2_065 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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6D92
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![BU of 6d92 by Molmil](/molmil-images/mine/6d92) | Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-A non-canonical pair at position 3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*AP*C)-3'), ... | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | Deposit date: | 2018-04-27 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA. Cell Rep, 24, 2018
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8DCI
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![BU of 8dci by Molmil](/molmil-images/mine/8dci) | |
6DAB
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![BU of 6dab by Molmil](/molmil-images/mine/6dab) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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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6DAL
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![BU of 6dal by Molmil](/molmil-images/mine/6dal) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 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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8DCH
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![BU of 8dch by Molmil](/molmil-images/mine/8dch) | Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | Deposit date: | 2022-06-16 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics. J.Mol.Graph.Model., 117, 2022
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8D08
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![BU of 8d08 by Molmil](/molmil-images/mine/8d08) | Hallucinated C4 protein assembly HALC4_135 | Descriptor: | HALC4_135 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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8D03
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![BU of 8d03 by Molmil](/molmil-images/mine/8d03) | Hallucinated C2 protein assembly HALC2_068 | Descriptor: | HALC2_068 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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6DBD
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![BU of 6dbd by Molmil](/molmil-images/mine/6dbd) | Crystal Structure of VHH R326 | Descriptor: | ACETATE ION, SODIUM ION, nanobody VHH R326 | Authors: | Brooks, C.L, Toride King, M, Huh, I. | Deposit date: | 2018-05-03 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes. J. Biol. Chem., 293, 2018
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8D09
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![BU of 8d09 by Molmil](/molmil-images/mine/8d09) | Hallucinated C4 protein assembly HALC4_136 | Descriptor: | HALC4_136 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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5V7N
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![BU of 5v7n by Molmil](/molmil-images/mine/5v7n) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and 2-Keto-D-gluconic acid | Descriptor: | 2-keto-D-gluconic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shabalin, I.G, Handing, K.B, Miks, C.D, Kutner, J, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-20 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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6DEH
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![BU of 6deh by Molmil](/molmil-images/mine/6deh) | Structure of LpnE Effector Protein from Legionella pneumophila (sp. Philadelphia) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NICKEL (II) ION, ... | Authors: | Voth, K, Chung, I.Y.W, van Straaten, K.E, Cygler, M. | Deposit date: | 2018-05-11 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe (OCRL) protein. FEBS J., 286, 2019
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