4ND9
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![BU of 4nd9 by Molmil](/molmil-images/mine/4nd9) | The putative substrate binding domain of ABC-type transporter from Agrobacterium tumefaciens in open conformation | Descriptor: | ABC transporter, substrate binding protein (Proline/glycine/betaine) | Authors: | Nicholls, R, Tkaczuk, K.L, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-25 | Release date: | 2013-12-11 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The putative substrate binding domain of ABC-type transporter from Agrobacterium tumefaciens in open conformation To be Published
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4NE4
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![BU of 4ne4 by Molmil](/molmil-images/mine/4ne4) | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, substrate binding protein (Proline/glycine/betaine), ... | Authors: | Tkaczuk, K.L, Nicholls, R, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-28 | Release date: | 2013-11-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB To be Published
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3PDS
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![BU of 3pds by Molmil](/molmil-images/mine/3pds) | Irreversible Agonist-Beta2 Adrenoceptor Complex | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | Deposit date: | 2010-10-24 | Release date: | 2011-01-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex Nature, 469, 2011
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4OUK
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![BU of 4ouk by Molmil](/molmil-images/mine/4ouk) | Crystal structure of a C6-C4 SN3 inhibited ESTERASE B from LACTOBACILLUS RHAMNOSIS | Descriptor: | (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate, Esterase B | Authors: | Colbert, D.A, Bennett, M.D, Lun, D.J, Holland, R, Delabre, M.-L, Loo, T.S, Anderson, B.F, Norris, G.E. | Deposit date: | 2014-02-17 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a C6-C4 SN3 inhibited ESTERASE B from LACTOBACILLUS RHAMNOSIS TO BE PUBLISHED
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4IUW
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![BU of 4iuw by Molmil](/molmil-images/mine/4iuw) | Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) | Descriptor: | CARBONATE ION, CITRIC ACID, Neutral endopeptidase, ... | Authors: | Anderson, B.F, Knapp, K.M, Holland, R, Norris, G.E, Christensson, C, Bratt, H, Collins, L.J, Coolbear, T, Lubbers, M.W, Toole, P.W.O, Reid, J.R, Jameson, G.B. | Deposit date: | 2013-01-21 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) TO BE PUBLISHED
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4ROT
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![BU of 4rot by Molmil](/molmil-images/mine/4rot) | Crystal structure of esterase A from Streptococcus pyogenes | Descriptor: | Esterase A, OXALATE ION, ZINC ION | Authors: | Bennett, M.D, Holland, R, Coulibaly, F, Loo, T.S, Norris, G.E, Anderson, B.F. | Deposit date: | 2014-10-28 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of esterase A from Streptococcus pyogenes To be Published
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3DLT
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![BU of 3dlt by Molmil](/molmil-images/mine/3dlt) | |
3DYI
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![BU of 3dyi by Molmil](/molmil-images/mine/3dyi) | |
3E1G
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![BU of 3e1g by Molmil](/molmil-images/mine/3e1g) | |
3DKR
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![BU of 3dkr by Molmil](/molmil-images/mine/3dkr) | |
3DYV
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![BU of 3dyv by Molmil](/molmil-images/mine/3dyv) | |
3MLE
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![BU of 3mle by Molmil](/molmil-images/mine/3mle) | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP | Descriptor: | 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-16 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members. Febs J., 279, 2012
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6TLD
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![BU of 6tld by Molmil](/molmil-images/mine/6tld) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Romier, C. | Deposit date: | 2019-12-02 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors. Chemmedchem, 15, 2020
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6HRQ
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![BU of 6hrq by Molmil](/molmil-images/mine/6hrq) | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-09-28 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTI
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![BU of 6hti by Molmil](/molmil-images/mine/6hti) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTT
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![BU of 6htt by Molmil](/molmil-images/mine/6htt) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTH
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![BU of 6hth by Molmil](/molmil-images/mine/6hth) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU3
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![BU of 6hu3 by Molmil](/molmil-images/mine/6hu3) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | Descriptor: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HSH
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![BU of 6hsh by Molmil](/molmil-images/mine/6hsh) | Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.545 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU2
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![BU of 6hu2 by Molmil](/molmil-images/mine/6hu2) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11 | Descriptor: | 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTG
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![BU of 6htg by Molmil](/molmil-images/mine/6htg) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4 | Descriptor: | 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTZ
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![BU of 6htz by Molmil](/molmil-images/mine/6htz) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU1
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![BU of 6hu1 by Molmil](/molmil-images/mine/6hu1) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | Descriptor: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HSG
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![BU of 6hsg by Molmil](/molmil-images/mine/6hsg) | Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU0
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![BU of 6hu0 by Molmil](/molmil-images/mine/6hu0) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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