8HTV
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![BU of 8htv by Molmil](/molmil-images/mine/8htv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | Descriptor: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | Authors: | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2022-12-21 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66, 2023
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1F1D
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![BU of 1f1d by Molmil](/molmil-images/mine/1f1d) | Crystal structure of yeast H46C cuznsod mutant | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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6AIP
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![BU of 6aip by Molmil](/molmil-images/mine/6aip) | Cab2 mutant-H337A complex with phosphopantothenoylcystine | Descriptor: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2 | Authors: | Zheng, P, Zhu, Z. | Deposit date: | 2018-08-24 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae. J. Mol. Biol., 431, 2019
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6AIK
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![BU of 6aik by Molmil](/molmil-images/mine/6aik) | Cab2 mutant H337A complex with phosphopantothenoyl-CMP | Descriptor: | PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2 | Authors: | Zheng, P, Zhu, Z. | Deposit date: | 2018-08-24 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae. J. Mol. Biol., 431, 2019
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8HFQ
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![BU of 8hfq by Molmil](/molmil-images/mine/8hfq) | Cryo-EM structure of CpcL-PBS from cyanobacterium Synechocystis sp. PCC 6803 | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, Ferredoxin--NADP reductase, ... | Authors: | Zheng, L, Zhang, Z, Wang, H, Zheng, Z, Gao, N, Zhao, J. | Deposit date: | 2022-11-11 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Cryo-EM and femtosecond spectroscopic studies provide mechanistic insight into the energy transfer in CpcL-phycobilisomes. Nat Commun, 14, 2023
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1F1G
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![BU of 1f1g by Molmil](/molmil-images/mine/1f1g) | Crystal structure of yeast cuznsod exposed to nitric oxide | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, PHOSPHATE ION, ... | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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8I71
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![BU of 8i71 by Molmil](/molmil-images/mine/8i71) | Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) | Descriptor: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2023-01-30 | Release date: | 2023-03-22 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection. J.Med.Chem., 66, 2023
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6BA6
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![BU of 6ba6 by Molmil](/molmil-images/mine/6ba6) | Solution structure of Rap1b/talin complex | Descriptor: | Ras-related protein Rap-1b, Talin-1 | Authors: | Zhu, L, Yang, J, Qin, J. | Deposit date: | 2017-10-12 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation. Nat Commun, 8, 2017
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6ENK
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![BU of 6enk by Molmil](/molmil-images/mine/6enk) | The X-ray crystal structure of DesE bound to desferrioxamine B | Descriptor: | DesE, SODIUM ION, desferrioxamine B | Authors: | Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A. | Deposit date: | 2017-10-05 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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7F3Q
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![BU of 7f3q by Molmil](/molmil-images/mine/7f3q) | SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ... | Authors: | Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K. | Deposit date: | 2021-06-16 | Release date: | 2022-06-22 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method. Antib Ther, 6, 2023
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7DNC
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![BU of 7dnc by Molmil](/molmil-images/mine/7dnc) | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7UIB
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![BU of 7uib by Molmil](/molmil-images/mine/7uib) | Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ... | Authors: | Liu, Z, Jin, R, Chen, P. | Deposit date: | 2022-03-29 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Nat Commun, 14, 2023
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7UIA
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![BU of 7uia by Molmil](/molmil-images/mine/7uia) | Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Z, Jin, R, Chen, P. | Deposit date: | 2022-03-28 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Nat Commun, 14, 2023
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5ZG9
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![BU of 5zg9 by Molmil](/molmil-images/mine/5zg9) | Crystal structure of MoSub1-ssDNA complex in phosphate buffer | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION | Authors: | Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J. | Deposit date: | 2018-03-08 | Release date: | 2019-03-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus. Proteins, 87, 2019
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7X98
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![BU of 7x98 by Molmil](/molmil-images/mine/7x98) | |
5ZOI
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![BU of 5zoi by Molmil](/molmil-images/mine/5zoi) | Crystal Structure of alpha1,3-Fucosyltransferase | Descriptor: | Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | Authors: | Tan, Y, Yang, G. | Deposit date: | 2018-04-13 | Release date: | 2019-06-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method. Sci Adv, 5, 2019
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7CBQ
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![BU of 7cbq by Molmil](/molmil-images/mine/7cbq) | Crystal structure of PDE4D catalytic domain in complex with Apremilast | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-13 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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7CBJ
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![BU of 7cbj by Molmil](/molmil-images/mine/7cbj) | Crystal structure of PDE4D catalytic domain in complex with compound 36 | Descriptor: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-12 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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7DMF
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![BU of 7dmf by Molmil](/molmil-images/mine/7dmf) | |
7E9G
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![BU of 7e9g by Molmil](/molmil-images/mine/7e9g) | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2 | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, DN13, ... | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2021-03-04 | Release date: | 2021-06-23 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature, 594, 2021
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7E9H
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![BU of 7e9h by Molmil](/molmil-images/mine/7e9h) | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu4 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-3, ... | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2021-03-04 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature, 594, 2021
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4AG3
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![BU of 4ag3 by Molmil](/molmil-images/mine/4ag3) | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH at 1.8A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL | Authors: | Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y. | Deposit date: | 2012-01-24 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4AFN
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![BU of 4afn by Molmil](/molmil-images/mine/4afn) | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL | Authors: | Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y. | Deposit date: | 2012-01-20 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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1HVB
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![BU of 1hvb by Molmil](/molmil-images/mine/1hvb) | CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN | Descriptor: | 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE | Authors: | McDonough, M.A, Lee, W, Silvaggi, N.R, Mobashery, S, Kelly, J.A. | Deposit date: | 2001-01-08 | Release date: | 2001-02-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis. Proc.Natl.Acad.Sci.USA, 98, 2001
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1IKI
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![BU of 1iki by Molmil](/molmil-images/mine/1iki) | COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | Descriptor: | D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE | Authors: | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | Deposit date: | 2001-05-03 | Release date: | 2002-09-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins. J.Mol.Biol., 322, 2002
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