7VQV
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![BU of 7vqv by Molmil](/molmil-images/mine/7vqv) | de novo design based on 1r26 | Descriptor: | GLYCEROL, de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VU4
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![BU of 7vu4 by Molmil](/molmil-images/mine/7vu4) | de novo design based on 1r26 | Descriptor: | de novo design protein | Authors: | Zhang, L. | Deposit date: | 2021-11-01 | Release date: | 2022-06-08 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VQW
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![BU of 7vqw by Molmil](/molmil-images/mine/7vqw) | de novo designed protein based on 1r26 | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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4XO1
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![BU of 4xo1 by Molmil](/molmil-images/mine/4xo1) | |
7OQ6
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![BU of 7oq6 by Molmil](/molmil-images/mine/7oq6) | Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | Authors: | Zhang, L, Zhang, S, Bechthold, A, Einsle, O. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate. Acta Pharm Sin B, 13, 2023
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8B3C
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![BU of 8b3c by Molmil](/molmil-images/mine/8b3c) | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2022-09-16 | Release date: | 2023-09-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
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9C49
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![BU of 9c49 by Molmil](/molmil-images/mine/9c49) | |
7BVH
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![BU of 7bvh by Molmil](/molmil-images/mine/7bvh) | Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | Authors: | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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6G7M
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![BU of 6g7m by Molmil](/molmil-images/mine/6g7m) | Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | Authors: | Carr, S.B, Armstrong, F.A, Zhang, L, Beaton, S.E. | Deposit date: | 2018-04-06 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters Energy Environ Sci, 2019
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5YVF
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![BU of 5yvf by Molmil](/molmil-images/mine/5yvf) | Crystal structure of BFA1 | Descriptor: | BFA1 | Authors: | Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L. | Deposit date: | 2017-11-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1. Plant Cell, 30, 2018
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7BX8
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![BU of 7bx8 by Molmil](/molmil-images/mine/7bx8) | Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state" | Descriptor: | Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | Deposit date: | 2020-04-17 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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7BWR
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![BU of 7bwr by Molmil](/molmil-images/mine/7bwr) | Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state" | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ... | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | Deposit date: | 2020-04-15 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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6RP2
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![BU of 6rp2 by Molmil](/molmil-images/mine/6rp2) | Threonine to Cysteine (T225C) variant of E coli hydrogenase-1 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Carr, S.B, Armstrong, F.A, Zhang, L. | Deposit date: | 2019-05-13 | Release date: | 2020-03-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay. J.Am.Chem.Soc., 142, 2020
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7QUW
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![BU of 7quw by Molmil](/molmil-images/mine/7quw) | CVB3-3Cpro in complex with inhibitor MG-78 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2022-01-19 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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5YVD
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![BU of 5yvd by Molmil](/molmil-images/mine/5yvd) | |
5N19
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![BU of 5n19 by Molmil](/molmil-images/mine/5n19) | |
5NH0
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![BU of 5nh0 by Molmil](/molmil-images/mine/5nh0) | |
5N5O
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![BU of 5n5o by Molmil](/molmil-images/mine/5n5o) | |
4O0S
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![BU of 4o0s by Molmil](/molmil-images/mine/4o0s) | |
4O0W
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![BU of 4o0w by Molmil](/molmil-images/mine/4o0w) | |
4O0U
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![BU of 4o0u by Molmil](/molmil-images/mine/4o0u) | |
6JV3
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![BU of 6jv3 by Molmil](/molmil-images/mine/6jv3) | |
6JV5
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![BU of 6jv5 by Molmil](/molmil-images/mine/6jv5) | Crystal structure of 5-methylcytosine containing decamer dsDNA | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3') | Authors: | Zhang, L, Wang, Y.X. | Deposit date: | 2019-04-15 | Release date: | 2019-07-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine. Chem Sci, 10, 2019
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7QFV
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![BU of 7qfv by Molmil](/molmil-images/mine/7qfv) | Crystal structure of KLK6 in complex with compound 17a | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6 | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | Deposit date: | 2021-12-06 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion. J.Am.Chem.Soc., 144, 2022
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7QFT
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![BU of 7qft by Molmil](/molmil-images/mine/7qft) | Crystal structure of KLK6 in complex with compound 16a | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | Deposit date: | 2021-12-06 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion. J.Am.Chem.Soc., 144, 2022
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