5DQC
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![BU of 5dqc by Molmil](/molmil-images/mine/5dqc) | Co-crystal of BACE1 with compound 0211 | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | Deposit date: | 2015-09-14 | Release date: | 2016-02-17 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.4651 Å) | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
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5TL6
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![BU of 5tl6 by Molmil](/molmil-images/mine/5tl6) | Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 | Descriptor: | Replicase polyprotein 1ab, SULFATE ION, Ubiquitin-like protein ISG15, ... | Authors: | Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D. | Deposit date: | 2016-10-10 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.618 Å) | Cite: | Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species. J. Mol. Biol., 429, 2017
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5TLA
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![BU of 5tla by Molmil](/molmil-images/mine/5tla) | |
6OMV
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![BU of 6omv by Molmil](/molmil-images/mine/6omv) | CryoEM structure of the LbCas12a-crRNA-AcrVA4-DNA complex | Descriptor: | AcrVA4, Cpf1, DNA (5'-D(*CP*GP*TP*CP*CP*TP*TP*TP*AP*GP*GP*A)-3'), ... | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2019-04-19 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins. Cell Host Microbe, 25, 2019
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5V0N
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![BU of 5v0n by Molmil](/molmil-images/mine/5v0n) | BACE1 in complex with inhibitor 5g | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | Deposit date: | 2017-02-28 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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4OVZ
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![BU of 4ovz by Molmil](/molmil-images/mine/4ovz) | |
4OW0
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![BU of 4ow0 by Molmil](/molmil-images/mine/4ow0) | |
4DEF
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![BU of 4def by Molmil](/molmil-images/mine/4def) | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | Descriptor: | ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Capodagli, G.C, Pegan, S.D. | Deposit date: | 2012-01-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
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1BL5
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![BU of 1bl5 by Molmil](/molmil-images/mine/1bl5) | ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION | Descriptor: | 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1998-07-23 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs. Nat.Struct.Biol., 5, 1998
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4YOJ
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![BU of 4yoj by Molmil](/molmil-images/mine/4yoj) | HKU4 3CLpro bound to non-covalent inhibitor 2A | Descriptor: | 3C-like proteinase, ACETATE ION, FORMIC ACID, ... | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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4YOG
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![BU of 4yog by Molmil](/molmil-images/mine/4yog) | HKU4-3CLpro bound to non-covalent inhibitor 3B | Descriptor: | 3C-like proteinase, ACETATE ION, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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4YOI
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![BU of 4yoi by Molmil](/molmil-images/mine/4yoi) | Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A | Descriptor: | 3C-like proteinase, ACETATE ION, FORMIC ACID, ... | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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4YO9
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![BU of 4yo9 by Molmil](/molmil-images/mine/4yo9) | HKU4 3CLpro unbound structure | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, ACETATE ION, ... | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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3GTX
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![BU of 3gtx by Molmil](/molmil-images/mine/3gtx) | D71G/E101G mutant in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-28 | Release date: | 2009-06-30 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3GTI
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![BU of 3gti by Molmil](/molmil-images/mine/3gti) | D71G/E101G/M234L mutant in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase, SODIUM ION | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-27 | Release date: | 2009-06-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3GTF
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![BU of 3gtf by Molmil](/molmil-images/mine/3gtf) | D71G/E101G/V235L mutant in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-27 | Release date: | 2009-06-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3HTW
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![BU of 3htw by Molmil](/molmil-images/mine/3htw) | Organophosphorus hydrolase from Deinococcus radiodurans with cacodylate bound | Descriptor: | CACODYLATE ION, COBALT (II) ION, MAGNESIUM ION, ... | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-06-12 | Release date: | 2009-06-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3GU1
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![BU of 3gu1 by Molmil](/molmil-images/mine/3gu1) | Y97W mutant in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-28 | Release date: | 2009-06-30 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3GTH
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![BU of 3gth by Molmil](/molmil-images/mine/3gth) | D71G/E101G/M234I mutant in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, FORMIC ACID, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-27 | Release date: | 2009-06-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3GU2
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![BU of 3gu2 by Molmil](/molmil-images/mine/3gu2) | Y97L/G100-/E101- mutant in organophosphorus hydrolase | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-28 | Release date: | 2009-06-30 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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3GU9
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![BU of 3gu9 by Molmil](/molmil-images/mine/3gu9) | R228A mutation in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-28 | Release date: | 2009-06-30 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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2DWU
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![BU of 2dwu by Molmil](/molmil-images/mine/2dwu) | Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis | Descriptor: | D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ... | Authors: | Mehboob, S, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2006-08-17 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design J.Mol.Biol., 371, 2007
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2ID7
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![BU of 2id7 by Molmil](/molmil-images/mine/2id7) | 1.75 A Structure of T87I Phosphono-CheY | Descriptor: | Chemotaxis protein cheY | Authors: | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2006-09-14 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides. Arch.Biochem.Biophys., 479, 2008
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2IDM
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![BU of 2idm by Molmil](/molmil-images/mine/2idm) | 2.00 A Structure of T87I/Y106W Phosphono-CheY | Descriptor: | ACETATE ION, Chemotaxis protein cheY | Authors: | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2006-09-15 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides. Arch.Biochem.Biophys., 479, 2008
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2ID9
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![BU of 2id9 by Molmil](/molmil-images/mine/2id9) | 1.85 A Structure of T87I/Y106W Phosphono-CheY | Descriptor: | Chemotaxis protein cheY | Authors: | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2006-09-14 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides. Arch.Biochem.Biophys., 479, 2008
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