7RVV
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![BU of 7rvv by Molmil](/molmil-images/mine/7rvv) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVZ
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![BU of 7rvz by Molmil](/molmil-images/mine/7rvz) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI26 | Descriptor: | 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Yang, K, Sankaran, B, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVQ
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![BU of 7rvq by Molmil](/molmil-images/mine/7rvq) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVP
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![BU of 7rvp by Molmil](/molmil-images/mine/7rvp) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI14 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Authors: | Yang, K, Sankaran, B, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVX
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![BU of 7rvx by Molmil](/molmil-images/mine/7rvx) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24 | Descriptor: | 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVN
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![BU of 7rvn by Molmil](/molmil-images/mine/7rvn) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVY
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![BU of 7rvy by Molmil](/molmil-images/mine/7rvy) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25 | Descriptor: | 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVT
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![BU of 7rvt by Molmil](/molmil-images/mine/7rvt) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20 | Descriptor: | 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Authors: | Yang, K, Sankaran, B, Liu, W. | Deposit date: | 2021-08-19 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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8W2W
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![BU of 8w2w by Molmil](/molmil-images/mine/8w2w) | Structure of transthyretin synthetic mutation A120L | Descriptor: | Transthyretin | Authors: | Yang, K, Sun, X, Ferguson, J.A, Stanfield, R.L, Wright, P.E. | Deposit date: | 2024-02-21 | Release date: | 2024-02-28 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Mispacking of the F87 sidechain drives aggregation-promoting conformational fluctuations in the subunit interfaces of the transthyretin tetramer. Protein Sci., 33, 2024
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7RZU
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![BU of 7rzu by Molmil](/molmil-images/mine/7rzu) | |
7RZS
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![BU of 7rzs by Molmil](/molmil-images/mine/7rzs) | |
7RZR
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![BU of 7rzr by Molmil](/molmil-images/mine/7rzr) | |
7RZT
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![BU of 7rzt by Molmil](/molmil-images/mine/7rzt) | |
7RZV
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![BU of 7rzv by Molmil](/molmil-images/mine/7rzv) | |
7RZQ
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![BU of 7rzq by Molmil](/molmil-images/mine/7rzq) | |
7JP0
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![BU of 7jp0 by Molmil](/molmil-images/mine/7jp0) | Crystal structure of Mpro with inhibitor r1 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-07 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of Mpro with inhibitor r1 To Be Published
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2RN2
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![BU of 2rn2 by Molmil](/molmil-images/mine/2rn2) | STRUCTURAL DETAILS OF RIBONUCLEASE H FROM ESCHERICHIA COLI AS REFINED TO AN ATOMIC RESOLUTION | Descriptor: | RIBONUCLEASE H | Authors: | Katayanagi, K, Miyagawa, M, Matsushima, M, Ishikawa, M, Kanaya, S, Nakamura, H, Ikehara, M, Matsuzaki, T, Morikawa, K. | Deposit date: | 1992-04-15 | Release date: | 1993-10-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural details of ribonuclease H from Escherichia coli as refined to an atomic resolution. J.Mol.Biol., 223, 1992
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7TIK
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![BU of 7tik by Molmil](/molmil-images/mine/7tik) | |
2GTD
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![BU of 2gtd by Molmil](/molmil-images/mine/2gtd) | Crystal Structure of a Type III Pantothenate Kinase: Insight into the Catalysis of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria | Descriptor: | Type III Pantothenate Kinase | Authors: | Yang, K, Eyobo, Y, Brand, A.L, Martynowski, D, Tomchick, D. | Deposit date: | 2006-04-27 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Type III Pantothenate Kinase: Insight into the Mechanism of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria. J.Bacteriol., 188, 2006
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3BF3
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![BU of 3bf3 by Molmil](/molmil-images/mine/3bf3) | Type III pantothenate kinase from Thermotoga maritima complexed with product phosphopantothenate | Descriptor: | MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Type III pantothenate kinase | Authors: | Yang, K, Huerta, C, Strauss, E, Zhang, H. | Deposit date: | 2007-11-20 | Release date: | 2008-06-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase. Biochemistry, 47, 2008
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3BF1
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![BU of 3bf1 by Molmil](/molmil-images/mine/3bf1) | Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Type III pantothenate kinase | Authors: | Yang, K, Huerta, C, Strauss, E, Zhang, H. | Deposit date: | 2007-11-20 | Release date: | 2008-06-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase. Biochemistry, 47, 2008
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3BEX
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![BU of 3bex by Molmil](/molmil-images/mine/3bex) | Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate | Descriptor: | PANTOTHENOIC ACID, PHOSPHATE ION, Type III pantothenate kinase | Authors: | Yang, K, Huerta, C, Strauss, E, Zhang, H. | Deposit date: | 2007-11-20 | Release date: | 2008-06-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase. Biochemistry, 47, 2008
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7JQ2
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![BU of 7jq2 by Molmil](/molmil-images/mine/7jq2) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JPY
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7JQ4
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![BU of 7jq4 by Molmil](/molmil-images/mine/7jq4) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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