2VG2
 
 | | Rv2361 with IPP | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, DIPHOSPHATE, ... | | Authors: | Naismith, J.H, Wang, W, Dong, C. | | Deposit date: | 2007-11-07 | | Release date: | 2007-11-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
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2VG1
 | | Rv1086 E,E-farnesyl diphosphate complex | | Descriptor: | FARNESYL DIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Naismith, J.H, Wang, W, Dong, C. | | Deposit date: | 2007-11-07 | | Release date: | 2007-11-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
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2VL7
 | | Structure of S. tokodaii Xpd4 | | Descriptor: | PHOSPHATE ION, XPD | | Authors: | Naismith, J.H, Johnson, K.A, Oke, M, McMahon, S.A, Liu, L, White, M.F, Zawadski, M, Carter, L.G. | | Deposit date: | 2008-01-08 | | Release date: | 2008-05-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the DNA Repair Helicase Xpd.
Cell(Cambridge,Mass.), 133, 2008
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2V7I
 | | PrnB native | | Descriptor: | PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Naismith, J.H. | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
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2VG0
 | | Rv1086 citronellyl pyrophosphate complex | | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE | | Authors: | Naismith, J.H, Wang, W, Dong, C. | | Deposit date: | 2007-11-07 | | Release date: | 2007-11-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
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6FI2
 | | VexL: A periplasmic depolymerase provides new insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid-(1-4)-3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid-(1-4)-3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid, MALONATE ION, VexL | | Authors: | Naismith, J.H, McMahon, S.A, Le Bas, A, Liston, S.D, Whitfield, C. | | Deposit date: | 2018-01-16 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Periplasmic depolymerase provides insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2V7J
 | | PrnB L-tryptophan complex | | Descriptor: | PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Naismith, J.H. | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
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2VG4
 | | Rv2361 native | | Descriptor: | UNDECAPRENYL PYROPHOSPHATE SYNTHETASE | | Authors: | Naismith, J.H, Wang, W, Dong, C. | | Deposit date: | 2007-11-08 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
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2V7M
 | | PrnB 7-Cl-D-tryptophan complex | | Descriptor: | 7-CL-D-TRYPTOPHAN, PHOSPHATE ION, PRNB, ... | | Authors: | Naismith, J.H. | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
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2V7L
 | | PrnB 7Cl-L-tryptophan complex | | Descriptor: | 7-CHLOROTRYPTOPHAN, PRNB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Naismith, J.H. | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily.
Biochemistry, 46, 2007
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2V7K
 | | PrnB D-tryptophan complex | | Descriptor: | D-TRYPTOPHAN, PRNB, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Naismith, J.H. | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
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2VFW
 | | Rv1086 native | | Descriptor: | SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE, SULFATE ION | | Authors: | Naismith, J.H, Wang, W, Dong, C. | | Deposit date: | 2007-11-05 | | Release date: | 2007-11-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
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4V9E
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4FMV
 | | Crystal Structure Analysis of a GH30 Endoxylanase from Clostridium papyrosolvens C71 | | Descriptor: | Glucuronoarabinoxylan endo-1,4-beta-xylanase | | Authors: | Bales, E.B, Smith, J.K, St John, F.J, Hurlbert, J.C. | | Deposit date: | 2012-06-18 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A novel member of glycoside hydrolase family 30 subfamily 8 with altered substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
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4O6D
 | | West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2013-12-20 | | Release date: | 2014-02-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5936 Å) | | Cite: | Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
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4O6B
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6WEQ
 | | DENV1 NS1 in complex with neutralizing 2B7 Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
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6QYL
 | | Structure of MBP-Mcl-1 in complex with compound 8a | | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6D5X
 | | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate | | Descriptor: | 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ... | | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | | Deposit date: | 2018-04-19 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
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6D5K
 | | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | | Deposit date: | 2018-04-19 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
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6QZ8
 | | Structure of Mcl-1 in complex with compound 10d | | Descriptor: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-11 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QYP
 | | Structure of Mcl-1 in complex with compound 13 | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QZ5
 | | Structure of Mcl-1 in complex with compound 8a | | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-11 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QYK
 | | Structure of MBP-Mcl-1 in complex with compound 7a | | Descriptor: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QZ6
 | | Structure of Mcl-1 in complex with compound 8b | | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-11 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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