5ZR3
 
 | | Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide | | Descriptor: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha | | Authors: | Uno, T, Chong, K.T, Suzuki, T. | | Deposit date: | 2018-04-23 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
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6B4M
 | | Structural characterization of a novel monotreme-specific protein from the milk of the platypus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ... | | Authors: | Peat, T.S, Newman, J, Sharp, J.A, Kumar, A, Nicholas, K.R, Adams, T.E. | | Deposit date: | 2017-09-27 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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1WUT
 | | Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | | Descriptor: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ... | | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E. | | Deposit date: | 2004-12-08 | | Release date: | 2005-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
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1GCV
 | | DEOXY FORM HEMOGLOBIN FROM MUSTELUS GRISEUS | | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Naoi, Y, Chong, K.T, Yoshimatsu, K, Miyazaki, G, Tame, J.R.H, Park, S.Y, Adachi, S.I, Morimoto, H. | | Deposit date: | 2000-08-08 | | Release date: | 2000-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The functional similarity and structural diversity of human and cartilaginous fish hemoglobins.
J.Mol.Biol., 307, 2001
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1GCW
 | | CO form hemoglobin from mustelus griseus | | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Naoi, Y, Chong, K.T, Yoshimatsu, K, Miyazaki, G, Tame, J.R.H, Park, S.Y, Adachi, S.I, Morimoto, H. | | Deposit date: | 2000-08-08 | | Release date: | 2000-09-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The functional similarity and structural diversity of human and cartilaginous fish hemoglobins.
J.Mol.Biol., 307, 2001
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1FJ8
 | | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I | | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | | Deposit date: | 2000-08-07 | | Release date: | 2000-08-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
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1FJ4
 | | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN | | Descriptor: | BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I, THIOLACTOMYCIN | | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | | Deposit date: | 2000-08-07 | | Release date: | 2000-08-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
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2ATI
 | | Glycogen Phosphorylase Inhibitors | | Descriptor: | Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ... | | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.J, Herling, A.W, Oikonomakos, N.G, Schmoll, D, Sarubbi, E, von Roedern, E, Schoenafinger, K, Defossa, E. | | Deposit date: | 2005-08-25 | | Release date: | 2006-08-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes.
J.Med.Chem., 48, 2005
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7SX3
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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7SX4
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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6Y8K
 | | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | | Deposit date: | 2020-03-05 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist.
J Immunother Cancer, 9, 2021
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2O23
 | | The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A | | Descriptor: | GLYCEROL, HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kavanagh, K.L, Shafqat, N, Scholer, K, Debreczeni, J, Zschocke, J, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-29 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
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1C7H
 | | CRYSTAL STRUCTURE OF A MUTANT R75A IN KETOSTEROID ISOMERASE FROM PSEDOMONAS PUTIDA BIOTYPE B | | Descriptor: | DELTA-5-3-KETOSTEROID ISOMERASE | | Authors: | Nam, G.H, Kim, D.H, Jang, D.S, Choi, G, Ha, N.C, Oh, B.H, Choi, K.Y. | | Deposit date: | 2000-02-19 | | Release date: | 2000-04-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Roles of active site aromatic residues in catalysis by ketosteroid isomerase from Pseudomonas putida biotype B.
Biochemistry, 38, 1999
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6YEG
 | | Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - Final EM Refinement | | Descriptor: | Tail tube protein gp17.1* | | Authors: | Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A. | | Deposit date: | 2020-03-24 | | Release date: | 2020-10-14 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | | Cite: | Architecture of the flexible tail tube of bacteriophage SPP1.
Nat Commun, 11, 2020
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6YQ5
 | | Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - NMR Ensemble | | Descriptor: | Tail tube protein gp17.1* | | Authors: | Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A. | | Deposit date: | 2020-04-16 | | Release date: | 2020-10-14 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | | Cite: | Architecture of the flexible tail tube of bacteriophage SPP1.
Nat Commun, 11, 2020
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5CCV
 | | Crystal structure of full-length NS5 from dengue virus type 3 | | Descriptor: | RNA-directed RNA polymerase NS5, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Klema, V.J, Choi, K.H. | | Deposit date: | 2015-07-02 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Dengue Virus Nonstructural Protein 5 (NS5) Assembles into a Dimer with a Unique Methyltransferase and Polymerase Interface.
Plos Pathog., 12, 2016
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6VTX
 | | Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ... | | Authors: | Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C. | | Deposit date: | 2020-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
Nat Commun, 12, 2021
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1YXN
 | | Pseudo-atomic model of a fiberless isometric variant of bacteriophage phi29 | | Descriptor: | Major head protein | | Authors: | Morais, M.C, Choi, K.H, Koti, J.S, Chipman, P.R, Anderson, D.L, Rossmann, M.G. | | Deposit date: | 2005-02-22 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Conservation of the Capsid Structure in Tailed dsDNA Bacteriophages: the Pseudoatomic Structure of phi29
Mol.Cell, 18, 2005
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8F2N
 | | Phi-29 partially-expanded fiberless prohead | | Descriptor: | Major capsid protein | | Authors: | Woodson, M.E, Morais, M.C, Scott, S.D, Choi, K.H, Jardine, P.J, Zhang, W. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Phi-29 partially-expanded fiberless prohead
To Be Published
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2OS3
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | ACTINONIN, COBALT (II) ION, Peptide deformylase | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Parh, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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2OS0
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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7LYF
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2OS1
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | ACTINONIN, NICKEL (II) ION, Peptide deformylase, ... | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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7LYG
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1DMQ
 | | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | | Descriptor: | STEROID DELTA-ISOMERASE | | Authors: | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | | Deposit date: | 1999-12-14 | | Release date: | 2000-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B.
Biochemistry, 39, 2000
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