6UID
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6TYP
| KEAP1 Kelch domain in complex with Compound 2 | Descriptor: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1 | Authors: | Marcotte, D.J. | Deposit date: | 2019-08-09 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators. Bioorg.Med.Chem.Lett., 30, 2020
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3IT2
| Crystal structure of ligand-free Francisella tularensis histidine acid phosphatase | Descriptor: | ACETATE ION, Acid phosphatase | Authors: | Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition. J.Mol.Biol., 394, 2009
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3JR6
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6U59
| HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SOSIP.664 gp120,SOSIP.664 gp120, ... | Authors: | Yang, Y.R, Ward, A.B. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits. J.Virol., 94, 2020
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3JBS
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6SYY
| Crystal structure of McoA multicopper oxidase from the hyperthermophile Aquifex aeolicus | Descriptor: | COPPER (II) ION, OXYGEN ATOM, Periplasmic cell division protein (SufI) | Authors: | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | Deposit date: | 2019-10-01 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis Acs Catalysis, 2020
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6UJE
| Crystal structure of the Clostridial cellulose synthase subunit Z (CcsZ) from Clostridioides difficile | Descriptor: | CALCIUM ION, Endoglucanase | Authors: | Scott, W, Lowrance, B, Anderson, A.C, Weadge, J.T. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of the Clostridial cellulose synthase and characterization of the cognate glycosyl hydrolase, CcsZ. Plos One, 15, 2020
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3KD5
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6UIE
| Structure of the cytoplasmic domain of the T3SS sorting platform protein PscK from P. aeruginosa | Descriptor: | CHLORIDE ION, Type III export protein PscK | Authors: | Muthuramalingam, M, Lovell, S, Battaile, K.P, Picking, W.D. | Deposit date: | 2019-09-30 | Release date: | 2020-10-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Structures of SctK and SctD from Pseudomonas aeruginosa Reveal the Interface of the Type III Secretion System Basal Body and Sorting Platform. J.Mol.Biol., 432, 2020
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6UJF
| Crystal structure of the Clostridial cellulose synthase subunit Z (CcsZ) from Clostridioides difficile | Descriptor: | Endoglucanase, beta-D-glucopyranose | Authors: | Scott, W, Lowrance, B, Anderson, A.C, Weadge, J.T. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of the Clostridial cellulose synthase and characterization of the cognate glycosyl hydrolase, CcsZ. Plos One, 15, 2020
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6TSH
| Beta-galactosidase in complex with deoxygalacto-nojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-20 | Release date: | 2020-01-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6TTH
| PKM2 in complex with L-threonine | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6TTQ
| PKM2 in complex with Compound 10 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-30 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6TTD
| Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile Aquifex aeolicus | Descriptor: | COPPER (II) ION, GLYCEROL, Multicopper oxidase, ... | Authors: | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | Deposit date: | 2019-12-26 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase Acs Catalysis, 2022
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3KDK
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3KDG
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6TTE
| Beta-galactosidase in complex with PETG | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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3J3X
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3KVX
| JNK3 bound to aminopyrimidine inhibitor, SR-3562 | Descriptor: | Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline | Authors: | Habel, J.E, Laughlin, J.D, LoGrasso, P. | Deposit date: | 2009-11-30 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors J.Med.Chem., 53, 2010
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3K5U
| Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor | Descriptor: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, Serine/threonine-protein kinase 6 | Authors: | Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2009-10-08 | Release date: | 2010-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor Chemmedchem, 5, 2010
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3K9Z
| Rational Design of a Structural and Functional Nitric Oxide Reductase | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yeung, N, Lin, Y.-W, Gao, Y.-G, Zhao, X, Russell, B.S, Lei, L, Miner, K.D, Robinson, H, Lu, Y. | Deposit date: | 2009-10-16 | Release date: | 2009-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Rational design of a structural and functional nitric oxide reductase. Nature, 462, 2009
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3JCI
| 2.9 Angstrom Resolution Cryo-EM 3-D Reconstruction of Close-packed PCV2 Virus-like Particles | Descriptor: | Capsid protein | Authors: | Liu, Z, Guo, F, Wang, F, Li, T.C, Jiang, W. | Deposit date: | 2015-12-13 | Release date: | 2016-02-03 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | 2.9 angstrom Resolution Cryo-EM 3D Reconstruction of Close-Packed Virus Particles. Structure, 24, 2016
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6TSK
| Beta-galactosidase in complex with L-ribose | Descriptor: | Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-20 | Release date: | 2020-01-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6T5T
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