2AQB
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![BU of 2aqb by Molmil](/molmil-images/mine/2aqb) | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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3L5V
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3L5P
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1ZYW
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![BU of 1zyw by Molmil](/molmil-images/mine/1zyw) | Crystal Structure Of Mutant K8DP9SR58KP60G Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | ACETATE ION, Alpha-like neurotoxin BmK-I, SULFATE ION | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-13 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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1ZUT
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![BU of 1zut by Molmil](/molmil-images/mine/1zut) | Crystal Structure Of Mutant K8DP9SR58K Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I, SULFATE ION | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-01 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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3JSG
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4N25
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![BU of 4n25 by Molmil](/molmil-images/mine/4n25) | Crystal structure of Protein Arginine Deiminase 2 (250 uM Ca2+) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2N
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![BU of 4n2n by Molmil](/molmil-images/mine/4n2n) | Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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1ZXC
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![BU of 1zxc by Molmil](/molmil-images/mine/1zxc) | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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1ZYV
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![BU of 1zyv by Molmil](/molmil-images/mine/1zyv) | Crystal Structure Of Mutant K8DP9SR58KV59G Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-12 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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1ZU3
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![BU of 1zu3 by Molmil](/molmil-images/mine/1zu3) | Crystal Structure Of Mutant K8A Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-05-30 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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1RQJ
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![BU of 1rqj by Molmil](/molmil-images/mine/1rqj) | Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ... | Authors: | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | Deposit date: | 2003-12-05 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis J.Biol.Chem., 279, 2004
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4N28
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![BU of 4n28 by Molmil](/molmil-images/mine/4n28) | Crystal structure of Protein Arginine Deiminase 2 (1 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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6LJA
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![BU of 6lja by Molmil](/molmil-images/mine/6lja) | Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | Deposit date: | 2019-12-13 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application. Nat Commun, 12, 2021
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3JTU
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4N2K
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![BU of 4n2k by Molmil](/molmil-images/mine/4n2k) | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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1ZCN
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![BU of 1zcn by Molmil](/molmil-images/mine/1zcn) | human Pin1 Ng mutant | Descriptor: | PENTAETHYLENE GLYCOL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jager, M, Zhang, Y, Nguyen, H, Dendel, G, Bowman, M.E, Gruebele, M, Noel, J.P, Kelly, J.W. | Deposit date: | 2005-04-12 | Release date: | 2006-06-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function-folding relationship in a WW domain. Proc.Natl.Acad.Sci.Usa, 103, 2006
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3JSF
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6LJL
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![BU of 6ljl by Molmil](/molmil-images/mine/6ljl) | Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | Deposit date: | 2019-12-17 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application. Nat Commun, 12, 2021
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4N2C
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![BU of 4n2c by Molmil](/molmil-images/mine/4n2c) | Crystal structure of Protein Arginine Deiminase 2 (F221/222A, 10 mM Ca2+) | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.022 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2H
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![BU of 4n2h by Molmil](/molmil-images/mine/4n2h) | Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N20
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![BU of 4n20 by Molmil](/molmil-images/mine/4n20) | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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1ZVE
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![BU of 1zve by Molmil](/molmil-images/mine/1zve) | Crystal Structure Of Mutant K8G Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch | Descriptor: | ACETATE ION, Alpha-like neurotoxin BmK-I | Authors: | Ye, X, Bosmans, F, Li, C, Zhang, Y, Wang, D.C, Tytgat, J. | Deposit date: | 2005-06-01 | Release date: | 2006-05-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the voltage-gated Na+ channel selectivity of the scorpion alpha-like toxin BmK M1 J.Mol.Biol., 353, 2005
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3GIX
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2B6B
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![BU of 2b6b by Molmil](/molmil-images/mine/2b6b) | Cryo EM structure of Dengue complexed with CRD of DC-SIGN | Descriptor: | CD209 antigen, envelope glycoprotein | Authors: | Pokidysheva, E, Zhang, Y, Battisti, A.J, Bator-Kelly, C.M, Chipman, P.R, Gregorio, G, Hendrickson, W.A, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2005-09-30 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Cryo-EM reconstruction of dengue virus in complex with the carbohydrate recognition domain of DC-SIGN Cell(Cambridge,Mass.), 124, 2006
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