6WQW
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![BU of 6wqw by Molmil](/molmil-images/mine/6wqw) | Thermobacillus composti GH10 xylanase | Descriptor: | Beta-xylanase, beta-D-xylopyranose | Authors: | Briganti, L, Polikarpov, I. | Deposit date: | 2020-04-29 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Transformation of xylan into value-added biocommodities using Thermobacillus composti GH10 xylanase. Carbohydr Polym, 247, 2020
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6WRX
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![BU of 6wrx by Molmil](/molmil-images/mine/6wrx) | Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | Deposit date: | 2020-04-30 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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6WRV
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![BU of 6wrv by Molmil](/molmil-images/mine/6wrv) | Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ... | Authors: | Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D. | Deposit date: | 2020-04-30 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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6WRW
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![BU of 6wrw by Molmil](/molmil-images/mine/6wrw) | Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ... | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | Deposit date: | 2020-04-30 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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5XGG
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![BU of 5xgg by Molmil](/molmil-images/mine/5xgg) | |
6WR1
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![BU of 6wr1 by Molmil](/molmil-images/mine/6wr1) | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WR0
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![BU of 6wr0 by Molmil](/molmil-images/mine/6wr0) | Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | Descriptor: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WZP
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![BU of 6wzp by Molmil](/molmil-images/mine/6wzp) | The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4 | Descriptor: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | Deposit date: | 2020-05-14 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme Acs Catalysis, 11, 2021
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2MCM
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![BU of 2mcm by Molmil](/molmil-images/mine/2mcm) | MACROMOMYCIN | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Van Roey, P. | Deposit date: | 1991-05-08 | Release date: | 1993-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure analysis of auromomycin apoprotein (macromomycin) shows importance of protein side chains to chromophore binding selectivity. Proc.Natl.Acad.Sci.Usa, 86, 1989
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6WW0
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![BU of 6ww0 by Molmil](/molmil-images/mine/6ww0) | Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | Descriptor: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-05-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WX1
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![BU of 6wx1 by Molmil](/molmil-images/mine/6wx1) | Antigen Binding Fragment of OKT9 | Descriptor: | GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain | Authors: | Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C. | Deposit date: | 2020-05-09 | Release date: | 2021-05-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain. J.Virol., 95, 2021
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6WPX
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6RKO
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![BU of 6rko by Molmil](/molmil-images/mine/6rko) | Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | Authors: | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | Deposit date: | 2019-04-30 | Release date: | 2019-10-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases. Science, 366, 2019
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6X3M
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![BU of 6x3m by Molmil](/molmil-images/mine/6x3m) | Crystal structure of full-length Streptococcal bacteriophage hyaluronidase in complex with unsaturated hyaluronan octa-saccharides | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronoglucosaminidase | Authors: | Deivanayagam, C, Schormann, N. | Deposit date: | 2020-05-21 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.581 Å) | Cite: | Crystal Structure of Streptococcal Bacteriophage Hyaluronidase:
Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism To Be Published
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3ERP
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![BU of 3erp by Molmil](/molmil-images/mine/3erp) | Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... | Authors: | Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-10-02 | Release date: | 2008-11-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol. Appl.Environ.Microbiol., 2017
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6WPY
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6RQ5
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![BU of 6rq5 by Molmil](/molmil-images/mine/6rq5) | CYP121 in complex with 3,5-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6WGO
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![BU of 6wgo by Molmil](/molmil-images/mine/6wgo) | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | Descriptor: | ACETATE ION, Lysozyme, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2020-04-06 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules. Inorg.Chem., 60, 2021
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6WEB
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![BU of 6web by Molmil](/molmil-images/mine/6web) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6WEC
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![BU of 6wec by Molmil](/molmil-images/mine/6wec) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6X1O
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![BU of 6x1o by Molmil](/molmil-images/mine/6x1o) | WOR5 from Pyrococcus furiosus, as crystallized | Descriptor: | (1R)-1-hydroxybutane-1-sulfonic acid, CHLORIDE ION, Formaldehyde:ferredoxin oxidoreductase wor5, ... | Authors: | Mathew, L.G, Lanzilotta, W.N. | Deposit date: | 2020-05-19 | Release date: | 2021-11-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | An unprecedented function for a tungsten-containing oxidoreductase. J.Biol.Inorg.Chem., 27, 2022
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6RQ8
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![BU of 6rq8 by Molmil](/molmil-images/mine/6rq8) | CYP121 in complex with 3-iodo dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6XJ4
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![BU of 6xj4 by Molmil](/molmil-images/mine/6xj4) | Triuret Hydrolase (TrtA) from Herbaspirillum sp. BH-1 C162S bound with biuret | Descriptor: | 1,2-ETHANEDIOL, Cysteine hydrolase, dicarbonimidic diamide | Authors: | Tassoulas, L.T, Elias, M.H, Wackett, L.P. | Deposit date: | 2020-06-22 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of an ultraspecific triuret hydrolase (TrtA) establishes the triuret biodegradation pathway. J.Biol.Chem., 296, 2020
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6RO4
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![BU of 6ro4 by Molmil](/molmil-images/mine/6ro4) | Structure of the core TFIIH-XPA-DNA complex | Descriptor: | DNA repair protein complementing XP-A cells, DNA1, DNA2, ... | Authors: | Kokic, G, Chernev, A, Tegunov, D, Dienemann, C, Urlaub, H, Cramer, P. | Deposit date: | 2019-05-10 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of TFIIH activation for nucleotide excision repair. Nat Commun, 10, 2019
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6RQ0
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![BU of 6rq0 by Molmil](/molmil-images/mine/6rq0) | CYP121 in complex with 3-methyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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