4PP7
 
 | | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | | 分子名称: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | 著者 | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | | 登録日 | 2014-02-26 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 24, 2014
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1VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | 分子名称: | CCDB, CHLORIDE ION | | 著者 | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | 登録日 | 1998-04-17 | | 公開日 | 1998-07-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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3OLI
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 | | 分子名称: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3OLD
 | | Crystal structure of alpha-amylase in complex with acarviostatin I03 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes
J.Struct.Biol., 174, 2011
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3OLG
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin III03 | | 分子名称: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3OLE
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin II03 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3TON
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8BJH
 | | chimera of the inactive ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, with the double mutation K3528M and K3535I, fused to a proline-Rich-Domain (PRD) and profilin, bound to Latrunculin B-ADP-Mg-actin | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-04 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BO1
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | | 分子名称: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AZIDE ION, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-14 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BJI
 | | chimera of ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo fused to a proline-Rich-Domain (PRD) and profilin, bound to ADP-Mg-actin and a sulfate ion | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-04 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BR1
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | | 分子名称: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-22 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BJJ
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to ATP-Mg-actin, human profilin 1 and a sulfate ion | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-04 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BR0
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin (residue Q3455 to L3863) in complex with 3'deoxyCTP and two manganese cations bound to Latrunculin-B-ADP-Mn-actin | | 分子名称: | 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | 著者 | Texeira-Nuns, M, Retailleau, P, Renault, L. | | 登録日 | 2022-11-22 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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1I3U
 | | THREE-DIMENSIONAL STRUCTURE OF A LLAMA VHH DOMAIN COMPLEXED WITH THE DYE RR1 | | 分子名称: | 5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID, ANTIBODY VHH LAMA DOMAIN, SULFATE ION | | 著者 | Spinelli, S, Tegoni, M, Frenken, L, van Vliet, C, Cambillau, C. | | 登録日 | 2001-02-16 | | 公開日 | 2001-08-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Lateral recognition of a dye hapten by a llama VHH domain.
J.Mol.Biol., 311, 2001
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1I3V
 | | THREE-DIMENSIONAL STRUCTURE OF A LAMA VHH DOMAIN UNLIGANDED | | 分子名称: | ANTIBODY VHH LAMA DOMAIN | | 著者 | Spinelli, S, Tegoni, M, Frenken, L, van Vliet, C, Cambillau, C. | | 登録日 | 2001-02-16 | | 公開日 | 2001-08-08 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Lateral recognition of a dye hapten by a llama VHH domain.
J.Mol.Biol., 311, 2001
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4VUB
 | | CCDB, A TOPOISOMERASE POISON FROM ESCHERICHIA COLI | | 分子名称: | CCDB, CHLORIDE ION | | 著者 | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | 登録日 | 1998-04-17 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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7A4N
 | | Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(S-closed trimer) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | 著者 | Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M. | | 登録日 | 2020-08-20 | | 公開日 | 2020-11-04 | | 最終更新日 | 2021-01-27 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | Stabilizing the closed SARS-CoV-2 spike trimer.
Nat Commun, 12, 2021
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7NTH
 | | Structure of TAK1 in complex with compound 54 | | 分子名称: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | 登録日 | 2021-03-09 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7NTI
 | | Structure of TAK1 in complex with compound 22 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | 登録日 | 2021-03-09 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7AD1
 | | Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(One up trimer) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein | | 著者 | Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M. | | 登録日 | 2020-09-14 | | 公開日 | 2020-11-04 | | 最終更新日 | 2021-01-27 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Stabilizing the closed SARS-CoV-2 spike trimer.
Nat Commun, 12, 2021
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6RNY
 | | PFV intasome - nucleosome strand transfer complex | | 分子名称: | DNA (108-MER), DNA (128-MER), DNA (33-MER), ... | | 著者 | Pye, V.E, Renault, L, Maskell, D.P, Cherepanov, P, Costa, A. | | 登録日 | 2019-05-09 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
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4CP8
 | | Structure of the amidase domain of allophanate hydrolase from Pseudomonas sp strain ADP | | 分子名称: | ALLOPHANATE HYDROLASE, MALONATE ION | | 著者 | Balotra, S, Newman, J, French, N, French, L, Peat, T.S, Scott, C. | | 登録日 | 2014-02-03 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | X-Ray Structure of the Amidase Domain of Atzf, the Allophanate Hydrolase from the Cyanuric Acid-Mineralizing Multienzyme Complex.
Appl.Environ.Microbiol., 81, 2015
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8CAR
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | 分子名称: | NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase | | 著者 | Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | 登録日 | 2023-01-24 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4QWW
 | | Crystal structure of the Fab410-BfAChE complex | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Renault, L, Marchot, P. | | 登録日 | 2014-07-17 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structure of Snake Venom Acetylcholinesterase in Complex with Inhibitory Antibody Fragment Fab410 Bound at the Peripheral Site: EVIDENCE FOR OPEN AND CLOSED STATES OF A BACK DOOR CHANNEL.
J.Biol.Chem., 290, 2015
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3VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | 分子名称: | CCDB, CHLORIDE ION | | 著者 | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | 登録日 | 1998-04-17 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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