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1TGU
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BU of 1tgu by Molmil
The crystal structure of bovine liver catalase without NADPH
Descriptor: Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K.
Deposit date:2004-05-31
Release date:2005-07-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of bovine liver catalase
TO BE PUBLISHED
3G7S
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BU of 3g7s by Molmil
Crystal structure of a long-chain-fatty-acid-CoA ligase (FadD1) from Archaeoglobus fulgidus
Descriptor: Long-chain-fatty-acid--CoA ligase (FadD-1)
Authors:Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-10
Release date:2009-03-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a long-chain-fatty-acid-CoA ligase (FadD1) from Archaeoglobus fulgidus
To be Published
1TH2
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BU of 1th2 by Molmil
crystal structure of NADPH depleted bovine liver catalase complexed with azide
Descriptor: AZIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K.
Deposit date:2004-06-01
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of bovine liver catalase
TO BE PUBLISHED
3GBV
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BU of 3gbv by Molmil
Crystal structure of a putative LacI transcriptional regulator from Bacteroides fragilis
Descriptor: 1,2-ETHANEDIOL, Putative LacI-family transcriptional regulator, SODIUM ION
Authors:Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-20
Release date:2009-03-10
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a putative LacI transcriptional regulator from Bacteroides fragilis
To be Published
3GVX
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BU of 3gvx by Molmil
Crystal structure of Glycerate dehydrogenase related protein from Thermoplasma acidophilum
Descriptor: Glycerate dehydrogenase related protein, POTASSIUM ION
Authors:Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Glycerate dehydrogenase related protein from Thermoplasma acidophilum
To be Published
3GRC
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BU of 3grc by Molmil
Crystal structure of a sensor protein from Polaromonas sp. JS666
Descriptor: Sensor protein, Kinase
Authors:Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-25
Release date:2009-04-14
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of a sensor protein from Polaromonas sp. JS666
To be Published
3H74
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BU of 3h74 by Molmil
Crystal structure of pyridoxal kinase from Lactobacillus plantarum
Descriptor: GLYCEROL, Pyridoxal kinase, SULFATE ION
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-24
Release date:2009-05-26
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of pyridoxal kinase from Lactobacillus plantarum
To be Published
3IBQ
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BU of 3ibq by Molmil
Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Pyridoxal kinase
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-07-16
Release date:2009-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP
To be Published
3HYO
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BU of 3hyo by Molmil
Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyridoxal kinase
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-06-22
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP
To be Published
3JY6
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BU of 3jy6 by Molmil
Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional regulator, ...
Authors:Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-09-21
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis
To be Published
3K85
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BU of 3k85 by Molmil
Crystal structure of a D-glycero-D-manno-heptose 1-phosphate kinase from Bacteriodes thetaiotaomicron
Descriptor: D-glycero-D-manno-heptose 1-phosphate kinase
Authors:Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-13
Release date:2009-12-08
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of a D-glycero-D-manno-heptose 1-phosphate kinase from Bacteriodes thetaiotaomicron
To be Published
3GRA
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BU of 3gra by Molmil
Crystal structure of AraC family transcriptional regulator from Pseudomonas putida
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-25
Release date:2009-04-14
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of AraC family transcriptional regulator from Pseudomonas putida
To be Published
3GPV
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BU of 3gpv by Molmil
Crystal structure of a transcriptional regulator, MerR family from Bacillus thuringiensis
Descriptor: Transcriptional regulator, MerR family
Authors:Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-23
Release date:2009-04-14
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a transcriptional regulator, MerR family from Bacillus thuringiensis
To be Published
3T81
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BU of 3t81 by Molmil
Crystal Structure of diiron adenine deaminase
Descriptor: Adenine deaminase 2, FE (III) ION
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-08-01
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal Structure of diiron adenine deaminase
TO BE PUBLISHED
3SMD
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BU of 3smd by Molmil
Crystal structure of a mut/nudix family protein from bacillus thuringiensis
Descriptor: MutT/NUDIX family protein
Authors:Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-06-27
Release date:2011-07-20
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of a mut/nudix family protein from bacillus thuringiensis
To be Published
3T8L
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BU of 3t8l by Molmil
Crystal Structure of adenine deaminase with Mn/Fe
Descriptor: Adenine deaminase 2, UNKNOWN ATOM OR ION
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-08-01
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The catalase activity of diiron adenine deaminase.
Protein Sci., 20, 2011
3U4F
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BU of 3u4f by Molmil
Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from Roseovarius nubinhibens
Descriptor: GUANIDINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein
Authors:Eswaramoorthy, S, Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-10-07
Release date:2011-10-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from Roseovarius nubinhibens
To be Published, 2011
7MHN
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BU of 7mhn by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 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 (2.1908 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHJ
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BU of 7mhj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and 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 tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHO
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BU of 7mho by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 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 (1.88 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 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 (1.88 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHQ
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BU of 7mhq by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 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 (1.9601 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHH
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BU of 7mhh by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 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 (2.1908 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, 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 (1.9601 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MNG
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BU of 7mng by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
Descriptor: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
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:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 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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