4FCP
 
 | | Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | | Authors: | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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5KPC
 | | Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6 | | Descriptor: | Pavine N-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-07-03 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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4FCR
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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5KN4
 | | Pavine N-methyltransferase apoenzyme pH 6.0 | | Descriptor: | Pavine N-methyltransferase | | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-06-27 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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4FCQ
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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5KPG
 | | Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7 | | Descriptor: | Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-07-04 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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4Y52
 | | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, L, Chong, J, Wang, D. | | Deposit date: | 2015-02-11 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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4Y7N
 | | The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, L, Chong, J, Wang, D. | | Deposit date: | 2015-02-15 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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5LJL
 | | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | | Descriptor: | Flavodoxin, PHOSPHATE ION | | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
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5MWX
 | | Galectin-1 in Complex with Ligand JB60 | | Descriptor: | BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ... | | Authors: | Grimm, C, Bechold, J. | | Deposit date: | 2017-01-20 | | Release date: | 2018-02-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Galectin-1 in Complex with Ligand JB60
To Be Published
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5MWT
 | | Galectin-1 in Complex with Ligand JB97 | | Descriptor: | BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ... | | Authors: | Grimm, C, Bechold, J. | | Deposit date: | 2017-01-19 | | Release date: | 2018-02-14 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.711 Å) | | Cite: | Structural insights into the redesign of a sucrose phosphorylase by induced loop repositioning
To Be Published
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6X9H
 | | Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1) | | Descriptor: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ... | | Authors: | Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
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5GJ7
 | | putative Acyl-CoA dehydrogenase | | Descriptor: | Acyl-CoA dehydrogenase type 2 domain protein | | Authors: | Moon, H, Choe, J. | | Deposit date: | 2016-06-28 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Putative Acyl CoA dehydrogenase
To Be Published
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5K2R
 | | Crystal structure of lysozyme | | Descriptor: | Lysozyme C | | Authors: | Ko, S, Choe, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of lysozyme with nano particles
To Be Published
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5GUY
 | | Structural and functional study of chuY from E. coli CFT073 strain | | Descriptor: | Uncharacterized protein chuY | | Authors: | Kim, H, Choi, J, HA, S.C, Chaurasia, A.K, Kim, D, Kim, K.K. | | Deposit date: | 2016-08-31 | | Release date: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural and functional study of ChuY from Escherichia coli strain CFT073
Biochem. Biophys. Res. Commun., 482, 2017
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6XLQ
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab | | Descriptor: | Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain | | Authors: | Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R. | | Deposit date: | 2020-06-29 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
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5YPU
 | | Crystal structure of an actin monomer in complex with the nucleator Cordon-Bleu MET72NLE WH2-motif peptide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Scipion, C.P.M, Wongsantichon, J, Ferrer, F.J, Yuen, T.Y, Robinson, R.C. | | Deposit date: | 2017-11-03 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural evidence for the roles of divalent cations in actin polymerization and activation of ATP hydrolysis
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YVN
 | | Human Glutathione Transferase Omega1 | | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase omega-1, ... | | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | | Deposit date: | 2017-11-27 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y.
Proteins, 87, 2019
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5IS1
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5YVO
 | | Human Glutathione Transferase Omega1 covalently bound to ML175 inhibitor | | Descriptor: | ACETATE ION, Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, ... | | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | | Deposit date: | 2017-11-27 | | Release date: | 2018-11-28 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y.
Proteins, 87, 2019
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5K2K
 | | Crystal structure of lysozyme | | Descriptor: | Lysozyme C | | Authors: | Ko, S, Choe, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of lysozyme
To Be Published
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5K2Q
 | | Lysozyme with nano particles | | Descriptor: | Lysozyme C | | Authors: | Ko, S, Choe, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of lysozyme with nano particle
To Be Published
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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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5K2S
 | | Lysozyme with nano particles | | Descriptor: | Lysozyme C | | Authors: | Ko, S, Choe, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of lysozyme with nano particles
To Be Published
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5K2N
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