1DRO
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![BU of 1dro by Molmil](/molmil-images/mine/1dro) | NMR STRUCTURE OF THE CYTOSKELETON/SIGNAL TRANSDUCTION PROTEIN | Descriptor: | BETA-SPECTRIN | Authors: | Zhang, P, Talluri, S, Deng, H, Branton, D, Wagner, G. | Deposit date: | 1995-09-29 | Release date: | 1996-04-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the pleckstrin homology domain of Drosophila beta-spectrin. Structure, 3, 1995
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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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1P57
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![BU of 1p57 by Molmil](/molmil-images/mine/1p57) | Extracellular domain of human hepsin | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin | Authors: | Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A. | Deposit date: | 2003-04-25 | Release date: | 2004-01-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain Structure, 11, 2003
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2BR7
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![BU of 2br7 by Molmil](/molmil-images/mine/2br7) | Crystal Structure of Acetylcholine-binding Protein (AChBP) from Aplysia californica in complex with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Celie, P.H.N, Kasheverov, I.E, Mordvintsev, D.Y, Hogg, R.C, Van Nierop, P, Van Elk, R, Van Rossum-Fikkert, S.E, Zhmak, M.N, Bertrand, D, Tsetlin, V, Sixma, T.K, Smit, A.B. | Deposit date: | 2005-05-03 | Release date: | 2005-06-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Nicotinic Acetylcholine Receptor Homolog Achbp in Complex with an Alpha- Conotoxin Pnia Variant Nat.Struct.Mol.Biol., 12, 2005
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2BR8
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![BU of 2br8 by Molmil](/molmil-images/mine/2br8) | Crystal Structure of Acetylcholine-binding Protein (AChBP) from Aplysia californica in complex with an alpha-conotoxin PnIA variant | Descriptor: | ALPHA-CONOTOXIN PNIA, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION | Authors: | Celie, P.H.N, Kasheverov, I.E, Mordvintsev, D.Y, Hogg, R.C, van Nierop, P, van Elk, R, van Rossum-Fikkert, S.E, Zhmak, M.N, Bertrand, D, Tsetlin, V, Sixma, T.K, Smit, A.B. | Deposit date: | 2005-05-03 | Release date: | 2005-06-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Nicotinic Acetylcholine Receptor Homolog Achbp in Complex with an Alpha-Conotoxin Pnia Variant Nat.Struct.Mol.Biol., 12, 2005
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2C9T
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![BU of 2c9t by Molmil](/molmil-images/mine/2c9t) | Crystal Structure Of Acetylcholine Binding Protein (AChBP) From Aplysia Californica In Complex With alpha-Conotoxin ImI | Descriptor: | ALPHA-CONOTOXIN IMI, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Hogg, R.C, Celie, P.H, Bertrand, D, Tsetlin, V, Smit, A.B, Sixma, T.K. | Deposit date: | 2005-12-14 | Release date: | 2006-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Determinants of Selective {Alpha}-Conotoxin Binding to a Nicotinic Acetylcholine Receptor Homolog Achbp. Proc.Natl.Acad.Sci.USA, 103, 2006
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4HV0
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![BU of 4hv0 by Molmil](/molmil-images/mine/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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4ML3
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![BU of 4ml3 by Molmil](/molmil-images/mine/4ml3) | X-ray structure of ComE D58A 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 (3.15 Å) | Cite: | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae. Nucleic Acids Res., 42, 2014
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3T81
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![BU of 3t81 by Molmil](/molmil-images/mine/3t81) | |
4MSL
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![BU of 4msl by Molmil](/molmil-images/mine/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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3SMD
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![BU of 3smd by Molmil](/molmil-images/mine/3smd) | |
3T8L
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![BU of 3t8l by Molmil](/molmil-images/mine/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
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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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1I1E
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![BU of 1i1e by Molmil](/molmil-images/mine/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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4N7E
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![BU of 4n7e by Molmil](/molmil-images/mine/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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7MHN
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![BU of 7mhn by Molmil](/molmil-images/mine/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
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![BU of 7mhk by Molmil](/molmil-images/mine/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
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![BU of 7mhj by Molmil](/molmil-images/mine/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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3VTY
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![BU of 3vty by Molmil](/molmil-images/mine/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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7MNG
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![BU of 7mng by Molmil](/molmil-images/mine/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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7MHO
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![BU of 7mho by Molmil](/molmil-images/mine/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
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![BU of 7mhi by Molmil](/molmil-images/mine/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
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![BU of 7mhq by Molmil](/molmil-images/mine/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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