7MHP
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![BU of 7mhp by Molmil](/molmil-images/mine/7mhp) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity | Descriptor: | 3C-like proteinase, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.0005 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MRR
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![BU of 7mrr by Molmil](/molmil-images/mine/7mrr) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-05-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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2OGJ
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![BU of 2ogj by Molmil](/molmil-images/mine/2ogj) | Crystal structure of a dihydroorotase | Descriptor: | Dihydroorotase, IMIDAZOLE, ZINC ION | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-01-05 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of a dihydroorotase To be Published
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2QVC
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![BU of 2qvc by Molmil](/molmil-images/mine/2qvc) | Crystal structure of a periplasmic sugar ABC transporter from Thermotoga maritima | Descriptor: | Sugar ABC transporter, periplasmic sugar-binding protein, beta-D-glucopyranose | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-08 | Release date: | 2007-08-28 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a periplasmic glucose-binding protein from Thermotoga maritima. Acta Crystallogr.,Sect.F, 68, 2012
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2GU1
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![BU of 2gu1 by Molmil](/molmil-images/mine/2gu1) | Crystal structure of a zinc containing peptidase from vibrio cholerae | Descriptor: | SODIUM ION, ZINC ION, Zinc peptidase | Authors: | Sugadev, R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-04-28 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a putative lysostaphin peptidase from Vibrio cholerae. Proteins, 72, 2008
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2GOK
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![BU of 2gok by Molmil](/molmil-images/mine/2gok) | Crystal structure of the imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution | Descriptor: | CHLORIDE ION, FE (III) ION, GLYCEROL, ... | Authors: | Tyagi, R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-04-13 | Release date: | 2006-04-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | X-ray structure of imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution. Proteins, 69, 2007
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2ICS
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![BU of 2ics by Molmil](/molmil-images/mine/2ics) | Crystal structure of an adenine deaminase | Descriptor: | ADENINE, Adenine Deaminase, ZINC ION | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-09-13 | Release date: | 2006-10-17 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an adenine deaminase TO BE PUBLISHED
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2HAF
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![BU of 2haf by Molmil](/molmil-images/mine/2haf) | Crystal structure of a putative translation repressor from Vibrio cholerae | Descriptor: | Putative translation repressor | Authors: | Sugadev, R, Seetharaman, J, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-06-12 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Crystal structure of a putative translation repressor from Vibrio cholerae To be Published
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1U02
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![BU of 1u02 by Molmil](/molmil-images/mine/1u02) | Crystal structure of trehalose-6-phosphate phosphatase related protein | Descriptor: | GLYCEROL, MAGNESIUM ION, SODIUM ION, ... | Authors: | Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-07-12 | Release date: | 2004-07-20 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of trehalose-6-phosphate phosphatase-related protein: biochemical and biological implications. Protein Sci., 15, 2006
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1S0F
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![BU of 1s0f by Molmil](/molmil-images/mine/1s0f) | Crystal structure of botulinum neurotoxin type B at pH 7.0 | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | Deposit date: | 2003-12-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins Biochemistry, 43, 2004
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1S0E
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![BU of 1s0e by Molmil](/molmil-images/mine/1s0e) | Crystal structure of botulinum neurotoxin type B at pH 6.0 | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | Deposit date: | 2003-12-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins Biochemistry, 43, 2004
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1S0B
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![BU of 1s0b by Molmil](/molmil-images/mine/1s0b) | Crystal structure of botulinum neurotoxin type B at pH 4.0 | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | Deposit date: | 2003-12-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins Biochemistry, 43, 2004
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1S0D
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![BU of 1s0d by Molmil](/molmil-images/mine/1s0d) | Crystal structure of botulinum neurotoxin type B at pH 5.5 | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | Deposit date: | 2003-12-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins Biochemistry, 43, 2004
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1S0G
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![BU of 1s0g by Molmil](/molmil-images/mine/1s0g) | |
1S0C
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![BU of 1s0c by Molmil](/molmil-images/mine/1s0c) | Crystal structure of botulinum neurotoxin type B at pH 5.0 | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | Deposit date: | 2003-12-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins Biochemistry, 43, 2004
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1T3C
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![BU of 1t3c by Molmil](/molmil-images/mine/1t3c) | Clostridium botulinum type E catalytic domain E212Q mutant | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | Deposit date: | 2004-04-26 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway Biochemistry, 43, 2004
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1TH4
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![BU of 1th4 by Molmil](/molmil-images/mine/1th4) | crystal structure of NADPH depleted bovine liver catalase complexed with 3-amino-1,2,4-triazole | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugadev, R, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | Deposit date: | 2004-06-01 | Release date: | 2005-07-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | crystal structure of bovine liver catalase TO BE PUBLISHED
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1T3A
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![BU of 1t3a by Molmil](/molmil-images/mine/1t3a) | Crystal structure of Clostridium botulinum neurotoxin type E catalytic domain | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | Deposit date: | 2004-04-26 | Release date: | 2004-06-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway Biochemistry, 43, 2004
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1GGQ
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![BU of 1ggq by Molmil](/molmil-images/mine/1ggq) | |
1I4X
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![BU of 1i4x by Molmil](/molmil-images/mine/1i4x) | |
2QJC
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![BU of 2qjc by Molmil](/molmil-images/mine/2qjc) | Crystal structure of a putative diadenosine tetraphosphatase | Descriptor: | Diadenosine tetraphosphatase, putative, MANGANESE (II) ION, ... | Authors: | Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-06 | Release date: | 2007-07-24 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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3C6B
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![BU of 3c6b by Molmil](/molmil-images/mine/3c6b) | |
2FH7
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![BU of 2fh7 by Molmil](/molmil-images/mine/2fh7) | Crystal structure of the phosphatase domains of human PTP SIGMA | Descriptor: | Receptor-type tyrosine-protein phosphatase S | Authors: | Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-12-23 | Release date: | 2006-01-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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8EUA
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![BU of 8eua by Molmil](/molmil-images/mine/8eua) | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | Deposit date: | 2022-10-18 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14, 2023
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1KHI
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![BU of 1khi by Molmil](/molmil-images/mine/1khi) | CRYSTAL STRUCTURE OF HEX1 | Descriptor: | Hex1 | Authors: | Yuan, P, Swaminathan, K. | Deposit date: | 2001-11-30 | Release date: | 2002-11-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A HEX-1 crystal lattice required for Woronin body function in Neurospora crassa NAT.STRUCT.BIOL., 10, 2003
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