3SMD
 
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3T8L
 | | 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
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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
 | | 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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1I1E
 | | CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN | | Descriptor: | BOTULINUM NEUROTOXIN TYPE B, DOXORUBICIN, SULFATE ION, ... | | Authors: | Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | | Deposit date: | 2001-02-01 | | Release date: | 2001-11-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B.
Acta Crystallogr.,Sect.D, 57, 2001
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4NRU
 | | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | | Authors: | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2013-11-27 | | Release date: | 2014-10-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
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7MHN
 | | 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
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7MHK
 | | 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
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7MHJ
 | | 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
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7MNG
 | | 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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3VTY
 | | Crystal structure of MamA | | Descriptor: | CHLORIDE ION, MamA | | Authors: | Zeytuni, N, Baran, D, Davidov, G, Zarivach, R. | | Deposit date: | 2012-06-08 | | Release date: | 2012-10-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inter-phylum structural conservation of the magnetosome-associated TPR-containing protein, MamA
J.Struct.Biol., 180, 2012
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7MHO
 | | 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
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7MHI
 | | 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
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7MHQ
 | | 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
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7MHH
 | | 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
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4MLD
 | | X-ray structure of ComE D58E REC domain from Streptococcus pneumoniae | | Descriptor: | Response regulator | | Authors: | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | | Deposit date: | 2013-09-06 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae.
Nucleic Acids Res., 42, 2014
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3VTX
 | | Crystal structure of MamA protein | | Descriptor: | GLYCEROL, MamA | | Authors: | Zeytuni, N, Baran, D, Davidov, G, Zarivach, R. | | Deposit date: | 2012-06-08 | | Release date: | 2012-10-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inter-phylum structural conservation of the magnetosome-associated TPR-containing protein, MamA
J.Struct.Biol., 180, 2012
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3U4F
 | | 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
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4HV0
 | | Structure and Function of AvtR, a Novel Transcriptional Regulator from a Hyperthermophilic Archaeal Lipothrixvirus | | Descriptor: | AvtR | | Authors: | Peixeiro, N, Keller, J, Collinet, B, Leulliot, N, Campanacci, V, Cortez, D, Cambillau, C, Nitta, K.R, Vincentelli, R, Forterre, P, Prangishvili, D, Sezonov, G, van Tilbeurgh, H. | | Deposit date: | 2012-11-05 | | Release date: | 2012-11-21 | | Last modified: | 2012-12-26 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Function of AvtR, a Novel Transcriptional Regulator from a Hyperthermophilic Archaeal Lipothrixvirus.
J.Virol., 87, 2013
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4MSL
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-09-18 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
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4PDW
 | | A benzonitrile analogue inhibits rhinovirus replication | | Descriptor: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile, Capsid protein VP4/VP2, GLYCEROL, ... | | Authors: | Querol-Audi, J, Guerra, P, Lacroix, C, Roche, M, Franco, D, Froeyen, M, Terme, T, Vanelle, P, Neyts, J, Leyssen, P, Verdaguer, N. | | Deposit date: | 2014-04-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A novel benzonitrile analogue inhibits rhinovirus replication.
J.Antimicrob.Chemother., 69, 2014
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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 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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4N7E
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469 | | Descriptor: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-10-15 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
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7JNY
 | | Crystal structure of CXCL13 | | Descriptor: | C-X-C motif chemokine 13 | | Authors: | Rosenberg Jr, E.M, Rajasekaran, D, Murphy, J.W, Pantouris, G, Lolis, E.J. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity.
Acta Crystallogr D Struct Biol, 76, 2020
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7K3T
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-13 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 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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