8D4Z
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![BU of 8d4z by Molmil](/molmil-images/mine/8d4z) | Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | Descriptor: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Bell, J.A. | Deposit date: | 2022-06-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action To Be Published
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6JT4
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![BU of 6jt4 by Molmil](/molmil-images/mine/6jt4) | Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden. Chemmedchem, 14, 2019
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8DWA
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![BU of 8dwa by Molmil](/molmil-images/mine/8dwa) | |
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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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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1ATE
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6CI0
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![BU of 6ci0 by Molmil](/molmil-images/mine/6ci0) | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2018-02-23 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain. Biochim. Biophys. Acta, 1859, 2018
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7COI
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![BU of 7coi by Molmil](/molmil-images/mine/7coi) | Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus | Descriptor: | ACETATE ION, Carbonic anhydrase, ZINC ION | Authors: | Jin, M.S, Kim, S, Yeon, J, Sung, J. | Deposit date: | 2020-08-04 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus . Mol.Cells, 43, 2020
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7COJ
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![BU of 7coj by Molmil](/molmil-images/mine/7coj) | Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, ZINC ION | Authors: | Jin, M.S, Kim, S, Yeon, J, Sung, J. | Deposit date: | 2020-08-04 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus . Mol.Cells, 43, 2020
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1ADY
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![BU of 1ady by Molmil](/molmil-images/mine/1ady) | HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDYL-ADENYLATE | Descriptor: | HISTIDYL-ADENOSINE MONOPHOSPHATE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION | Authors: | Cusack, S, Aberg, A. | Deposit date: | 1997-02-19 | Release date: | 1997-08-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase. Biochemistry, 36, 1997
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6JJD
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![BU of 6jjd by Molmil](/molmil-images/mine/6jjd) | Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii nodavirus (MrNV) full VLP | Descriptor: | CALCIUM ION, Capsid protein | Authors: | Chang, W.H, Wang, C.H, Lin, H.H, Lin, S.Y, Chong, S.C, Wu, Y.Y. | Deposit date: | 2019-02-25 | Release date: | 2019-05-01 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii nodavirus (MrNV) full VLP To Be Published
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6ST8
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![BU of 6st8 by Molmil](/molmil-images/mine/6st8) | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein | Descriptor: | Major strawberry allergen Fra a 1-2 | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | Deposit date: | 2019-09-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits. J.Agric.Food Chem., 68, 2020
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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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13PK
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![BU of 13pk by Molmil](/molmil-images/mine/13pk) | TERNARY COMPLEX OF PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI | Descriptor: | 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Bernstein, B.E, Michels, P.A.M, Hol, W.G.J. | Deposit date: | 1996-11-23 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synergistic effects of substrate-induced conformational changes in phosphoglycerate kinase activation. Nature, 385, 1997
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1ADJ
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![BU of 1adj by Molmil](/molmil-images/mine/1adj) | HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE | Descriptor: | HISTIDINE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION | Authors: | Cusack, S, Aberg, A. | Deposit date: | 1997-02-18 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase. Biochemistry, 36, 1997
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7LTU
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![BU of 7ltu by Molmil](/molmil-images/mine/7ltu) | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1 | Descriptor: | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid | Authors: | Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | Deposit date: | 2021-02-20 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.122 Å) | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. Biorxiv, 2021
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1ATA
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1DN2
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![BU of 1dn2 by Molmil](/molmil-images/mine/1dn2) | FC FRAGMENT OF HUMAN IGG1 IN COMPLEX WITH AN ENGINEERED 13 RESIDUE PEPTIDE DCAWHLGELVWCT-NH2 | Descriptor: | ENGINEERED PEPTIDE, IMMUNOGLOBULIN LAMBDA HEAVY CHAIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | DeLano, W.L, Ultsch, M.H, de Vos, A.M, Wells, J.A. | Deposit date: | 1999-12-15 | Release date: | 2000-05-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Convergent solutions to binding at a protein-protein interface. Science, 287, 2000
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7K02
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6AWW
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![BU of 6aww by Molmil](/molmil-images/mine/6aww) | Structure of PR 10 Allergen Ara h 8.01 in complex with 3-Hydroxy-2-naphthoic acid | Descriptor: | 3-hydroxynaphthalene-2-carboxylic acid, Ara h 8 allergen, SODIUM ION | Authors: | Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | Deposit date: | 2017-09-06 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of PR-10 Allergen Ara h 8.01. To Be Published
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6AWR
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![BU of 6awr by Molmil](/molmil-images/mine/6awr) | Structure of PR 10 Allergen Ara h 8.01 in complex with ANS | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Ara h 8 allergen, SODIUM ION, ... | Authors: | Offermann, L.R, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Perdue, M, Chruszcz, M. | Deposit date: | 2017-09-06 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of PR-10 Allergen Ara h 8.01. To Be Published
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6AWZ
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![BU of 6awz by Molmil](/molmil-images/mine/6awz) | Structure of PR-10 allergen from peanut (Ara h 8.01). | Descriptor: | Ara h 8 allergen, SODIUM ION, TETRAETHYLENE GLYCOL | Authors: | Offermann, L.R, Majorek, K, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | Deposit date: | 2017-09-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of PR-10 Allergen Ara h 8.01. To Be Published
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6J1S
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![BU of 6j1s by Molmil](/molmil-images/mine/6j1s) | Crystal structure of Candida Antarctica Lipase B mutant - SS | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lipase B, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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6J1T
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![BU of 6j1t by Molmil](/molmil-images/mine/6j1t) | Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue | Descriptor: | (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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