7S9O
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5HTN
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![BU of 5htn by Molmil](/molmil-images/mine/5htn) | |
7SBG
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![BU of 7sbg by Molmil](/molmil-images/mine/7sbg) | |
5HT9
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7SD2
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7SDA
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![BU of 7sda by Molmil](/molmil-images/mine/7sda) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI49 | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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7SD9
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![BU of 7sd9 by Molmil](/molmil-images/mine/7sd9) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI48 | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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5XC6
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![BU of 5xc6 by Molmil](/molmil-images/mine/5xc6) | Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12 | Descriptor: | NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3') | Authors: | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | Deposit date: | 2017-03-22 | Release date: | 2017-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017
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7SDC
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![BU of 7sdc by Molmil](/molmil-images/mine/7sdc) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09 | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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5HWP
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![BU of 5hwp by Molmil](/molmil-images/mine/5hwp) | MvaS with acetylated Cys115 in complex with coenzyme A | Descriptor: | COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Bock, T, Kasten, J, Blankenfeldt, W. | Deposit date: | 2016-01-29 | Release date: | 2016-05-11 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. Chembiochem, 17, 2016
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5HV7
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7DVK
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![BU of 7dvk by Molmil](/molmil-images/mine/7dvk) | PyrI4 in complex with intermolecular Diels-Alder product | Descriptor: | GLYCEROL, Spiro-conjugate synthase, methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate | Authors: | Kashyap, R, Addlagatta, A. | Deposit date: | 2021-01-13 | Release date: | 2021-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates. Commun Chem, 2021
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5XPX
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7SH7
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![BU of 7sh7 by Molmil](/molmil-images/mine/7sh7) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Blankenship, L.R, Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease. Biorxiv, 2023
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7SH9
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![BU of 7sh9 by Molmil](/molmil-images/mine/7sh9) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI86 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
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7SH8
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![BU of 7sh8 by Molmil](/molmil-images/mine/7sh8) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI88 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
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5XLE
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![BU of 5xle by Molmil](/molmil-images/mine/5xle) | Crystal structure of anaerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | Deposit date: | 2017-05-10 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J. Inorg. Biochem., 177, 2017
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5HY6
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7SLI
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![BU of 7sli by Molmil](/molmil-images/mine/7sli) | Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | Deposit date: | 2021-10-24 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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5HYQ
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![BU of 5hyq by Molmil](/molmil-images/mine/5hyq) | Cetuximab Fab in complex with amidated meditope | Descriptor: | Amidated meditope, Cetuximab heavy chain, Cetuximab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-01 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.477 Å) | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5XMZ
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![BU of 5xmz by Molmil](/molmil-images/mine/5xmz) | Verticillium effector PevD1 | Descriptor: | CALCIUM ION, CHLORIDE ION, Effector protein PevD1 | Authors: | Liu, X, Zhou, R. | Deposit date: | 2017-05-17 | Release date: | 2017-07-05 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The asparagine-rich protein NRP interacts with the Verticillium effector PevD1 and regulates the subcellular localization of cryptochrome 2 J. Exp. Bot., 68, 2017
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5XLH
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![BU of 5xlh by Molmil](/molmil-images/mine/5xlh) | Crystal structure of aerobically purified and aerobically crystallized for 12weeks D. vulgaris Miyazaki F [NiFe]-hydrogenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | Deposit date: | 2017-05-10 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J. Inorg. Biochem., 177, 2017
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7JQU
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7SHB
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![BU of 7shb by Molmil](/molmil-images/mine/7shb) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI79 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
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7JQS
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![BU of 7jqs by Molmil](/molmil-images/mine/7jqs) | |