8JMI
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7M0H
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![BU of 7m0h by Molmil](/molmil-images/mine/7m0h) | DHP B in complex with 4-chlorophenol ligand | Descriptor: | 4-chlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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8JMA
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8JME
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7M0F
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![BU of 7m0f by Molmil](/molmil-images/mine/7m0f) | DHP B in complex with 4-bromophenol ligand | Descriptor: | 4-BROMOPHENOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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8JMH
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7LIE
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8R6Q
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![BU of 8r6q by Molmil](/molmil-images/mine/8r6q) | Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | Authors: | Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J. | Deposit date: | 2023-11-22 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett., 15, 2024
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8QVI
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![BU of 8qvi by Molmil](/molmil-images/mine/8qvi) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery To Be Published
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6KZU
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3TJS
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![BU of 3tjs by Molmil](/molmil-images/mine/3tjs) | Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir | Descriptor: | Cytochrome P450 3A4, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2011-08-24 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch.Biochem.Biophys., 520, 2012
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4WBD
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![BU of 4wbd by Molmil](/molmil-images/mine/4wbd) | The crystal structure of BshC from Bacillus subtilis complexed with citrate and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BSHC, CITRIC ACID, ... | Authors: | Cook, P.D, VanDuinen, A.J, Winchell, K.R. | Deposit date: | 2014-09-03 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | X-ray Crystallographic Structure of BshC, a Unique Enzyme Involved in Bacillithiol Biosynthesis. Biochemistry, 54, 2015
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1WS4
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![BU of 1ws4 by Molmil](/molmil-images/mine/1ws4) | Crystal structure of Jacalin- Me-alpha-Mannose complex: Promiscuity vs Specificity | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-galactopyranoside, ... | Authors: | Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2004-10-31 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity J.Mol.Biol., 347, 2005
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8R5O
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![BU of 8r5o by Molmil](/molmil-images/mine/8r5o) | Plastid-encoded RNA polymerase | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-11-17 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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2YQJ
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![BU of 2yqj by Molmil](/molmil-images/mine/2yqj) | Crystal Structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the reaction-completed form | Descriptor: | GLYCEROL, MAGNESIUM ION, SULFATE ION, ... | Authors: | Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A. | Deposit date: | 2007-03-30 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism J.Biol.Chem., 282, 2007
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8R6S
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![BU of 8r6s by Molmil](/molmil-images/mine/8r6s) | Plastid-encoded RNA polymerase (Integrated model) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-11-22 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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8RDJ
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![BU of 8rdj by Molmil](/molmil-images/mine/8rdj) | Plastid-encoded RNA polymerase transcription elongation complex (Integrated model) | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-12-08 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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4V45
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![BU of 4v45 by Molmil](/molmil-images/mine/4v45) | E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | Deposit date: | 2001-09-13 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry, 40, 2001
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5XPJ
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8RAS
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![BU of 8ras by Molmil](/molmil-images/mine/8ras) | Plastid-encoded RNA polymerase transcription elongation complex | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-12-01 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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8RIV
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![BU of 8riv by Molmil](/molmil-images/mine/8riv) | T2R-TTL-1-K08 complex | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
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1AFE
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![BU of 1afe by Molmil](/molmil-images/mine/1afe) | HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP | Descriptor: | 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | Authors: | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | Deposit date: | 1997-03-06 | Release date: | 1997-12-03 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study. J.Mol.Biol., 269, 1997
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4V44
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![BU of 4v44 by Molmil](/molmil-images/mine/4v44) | E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH 2-F-LACTOSE | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | Deposit date: | 2001-09-13 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry, 40, 2001
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8S5I
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7MM0
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![BU of 7mm0 by Molmil](/molmil-images/mine/7mm0) | Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B1-182.1 Fab heavy chain, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-04-29 | Release date: | 2021-07-28 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants. Science, 373, 2021
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