7QUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7QFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7QFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7REF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ref by Molmil](/molmil-images/mine/7ref) | Structure of MS3494 from Mycobacterium smegmatis | Descriptor: | BROMIDE ION, MS3494 | Authors: | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | Deposit date: | 2021-07-12 | Release date: | 2021-08-18 | Last modified: | 2022-06-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis. Nat Commun, 13, 2022
|
|
7V2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2s by Molmil](/molmil-images/mine/7v2s) | Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm | Descriptor: | Methyltranfer_dom domain-containing protein | Authors: | Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y. | Deposit date: | 2021-08-09 | Release date: | 2022-08-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori. Insect Biochem.Mol.Biol., 151, 2022
|
|
6RP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6G7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7BVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7FAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fae by Molmil](/molmil-images/mine/7fae) | S protein of SARS-CoV-2 in complex bound with P36-5D2(state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P36-5D2 heavy chain, ... | Authors: | Zhang, L, Wang, X, Shan, S, Zhang, S. | Deposit date: | 2021-07-06 | Release date: | 2021-12-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants. Front Immunol, 12, 2021
|
|
7FAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7faf by Molmil](/molmil-images/mine/7faf) | S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1) | Descriptor: | P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein | Authors: | Zhang, L, Wang, X, Zhang, S, Shan, S. | Deposit date: | 2021-07-06 | Release date: | 2021-12-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants. Front Immunol, 12, 2021
|
|
8B35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b35 by Molmil](/molmil-images/mine/8b35) | |
8B32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b32 by Molmil](/molmil-images/mine/8b32) | |
8B3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4RHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rhd by Molmil](/molmil-images/mine/4rhd) | DNA Duplex with Novel ZP Base Pair | Descriptor: | DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION | Authors: | Zhang, W, Zhang, L, Benner, S, Huang, Z. | Deposit date: | 2014-10-01 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of functional six-nucleotide DNA. J.Am.Chem.Soc., 137, 2015
|
|
7ZNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7znq by Molmil](/molmil-images/mine/7znq) | ABC transporter complex NosDFYL in GDN | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Zhang, L, Mueller, C, Zipfel, S, Chami, M, Einsle, O. | Deposit date: | 2022-04-21 | Release date: | 2022-08-03 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
|
|
6FX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fx0 by Molmil](/molmil-images/mine/6fx0) | |
8C9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9t by Molmil](/molmil-images/mine/8c9t) | Catechol O-methyltransferase from Streptomyces avermitilis | Descriptor: | GLYCEROL, Putative O-methyltransferase | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2023-01-23 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria. Chembiochem, 24, 2023
|
|
8C9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9v by Molmil](/molmil-images/mine/8c9v) | O-methyltransferase from Desulfuromonas acetoxidans | Descriptor: | MAGNESIUM ION, O-methyltransferase, family 3 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2023-01-23 | Release date: | 2023-04-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria. Chembiochem, 24, 2023
|
|
8C9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9s by Molmil](/molmil-images/mine/8c9s) | |
5B0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b0j by Molmil](/molmil-images/mine/5b0j) | Structure of MoeN5-Sso7d fusion protein in complex with beta-undecyl maltoside | Descriptor: | MoeN5,DNA-binding protein 7d, UNDECYL-MALTOSIDE | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-10-30 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5B0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b0m by Molmil](/molmil-images/mine/5b0m) | Structure of MoeN5-Sso7d fusion protein in complex with beta-dodecyl maltoside | Descriptor: | DODECYL-BETA-D-MALTOSIDE, MoeN5,DNA-binding protein 7d | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-11-02 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5B0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b0k by Molmil](/molmil-images/mine/5b0k) | Structure of MoeN5-Sso7d fusion protein in complex with beta-decyl maltoside | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, MoeN5,DNA-binding protein 7d | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2015-10-30 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
4Y1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y1b by Molmil](/molmil-images/mine/4y1b) | |
5N19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n19 by Molmil](/molmil-images/mine/5n19) | |
5N5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n5o by Molmil](/molmil-images/mine/5n5o) | |