6GR2
| Structure of human galactokinase in complex with galactose and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ... | Authors: | Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-08 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of human galactokinase in complex with galactose and ADP To Be Published
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6CSO
| Crystal structure of the designed light-gated anion channel iC++ at pH6.5 | Descriptor: | OLEIC ACID, RETINAL, iC++ | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | Deposit date: | 2018-03-21 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins. Nature, 561, 2018
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6N2W
| The structure of Stable-5-Lipoxygenase bound to NDGA | Descriptor: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Newcomer, M.E, Gilbert, N.C, Neau, D.B. | Deposit date: | 2018-11-14 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural and mechanistic insights into 5-lipoxygenase inhibition by natural products. Nat.Chem.Biol., 16, 2020
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1ULA
| APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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1ULB
| APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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2QQC
| E109Q mutant of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AGMATINE, Pyruvoyl-dependent arginine decarboxylase subunit alpha, ... | Authors: | Ealick, S.E, Soriano, E.S. | Deposit date: | 2007-07-26 | Release date: | 2008-03-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the N47A and E109Q mutant proteins of pyruvoyl-dependent arginine decarboxylase from Methanococcus jannaschii. Acta Crystallogr.,Sect.D, 64, 2008
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5VY8
| S. cerevisiae Hsp104-ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 104 | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-05-24 | Release date: | 2017-07-05 | Last modified: | 2018-08-15 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
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1TO2
| crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2004-06-11 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,). Biochemistry, 43, 2004
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1TO1
| crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2004-06-11 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,). Biochemistry, 43, 2004
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1LRR
| CRYSTAL STRUCTURE OF E. COLI SEQA COMPLEXED WITH HEMIMETHYLATED DNA | Descriptor: | 5'-D(*AP*GP*TP*CP*GP*(6MA)P*TP*CP*GP*GP*TP*G)-3', 5'-D(*CP*AP*CP*CP*GP*AP*TP*CP*GP*AP*CP*T)-3', SeqA protein | Authors: | Guarne, A, Zhao, Q, Guirlando, R, Yang, W. | Deposit date: | 2002-05-15 | Release date: | 2002-12-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Insights into negative modulation of E. coli replication initiation from the structure of SeqA-hemimethylated DNA complex NAT.STRUCT.BIOL., 9, 2002
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7H6K
| Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H6U
| Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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5DKN
| Crystal Structure of Calcium-loaded S100B bound to SBi4225 | Descriptor: | 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | Deposit date: | 2015-09-03 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.528 Å) | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59, 2016
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5VYA
| S. cerevisiae Hsp104:casein complex, Extended Conformation | Descriptor: | Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-05-24 | Release date: | 2017-07-05 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
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1T64
| Crystal Structure of human HDAC8 complexed with Trichostatin A | Descriptor: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1SU2
| CRYSTAL STRUCTURE OF THE NUDIX HYDROLASE DR1025 IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MutT/nudix family protein | Authors: | Ranatunga, W, Hill, E.E, Mooster, J.L, Holbrook, E.L, Schulze-Gahmen, U, Xu, W, Bessman, M.J, Brenner, S.E, Holbrook, S.R, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-26 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes. J.Mol.Biol., 339, 2004
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1SUO
| Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | Deposit date: | 2004-03-26 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding. J.Biol.Chem., 279, 2004
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5W6P
| Crystal structure of Bacteriophage CBA120 tailspike protein 2 enzymatically active domain (TSP2dN, orf211) | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, ZINC ION, ... | Authors: | Plattner, M, Shneider, M.M, Leiman, P.G. | Deposit date: | 2017-06-16 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Structure and Function of the Branched Receptor-Binding Complex of Bacteriophage CBA120. J.Mol.Biol., 431, 2019
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5VX3
| Bcl-xL in complex with Bim-h3Pc-RT | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein 1, Bcl-2-like protein 11 | Authors: | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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1B72
| PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX | Descriptor: | DNA (5'-D(*AP*CP*TP*CP*TP*AP*TP*GP*AP*TP*TP*GP*AP*TP*CP*GP*GP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*CP*GP*AP*TP*CP*AP*AP*TP*CP*AP*TP*AP*GP*AP*G)-3'), PROTEIN (HOMEOBOX PROTEIN HOX-B1), ... | Authors: | Piper, D.E, Batchelor, A.H, Chang, C.-P, Cleary, M.L, Wolberger, C. | Deposit date: | 1999-01-27 | Release date: | 1999-02-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of a HoxB1-Pbx1 heterodimer bound to DNA: role of the hexapeptide and a fourth homeodomain helix in complex formation. Cell(Cambridge,Mass.), 96, 1999
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5VY9
| S. cerevisiae Hsp104:casein complex, Middle Domain Conformation | Descriptor: | Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-05-24 | Release date: | 2017-07-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
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1TM4
| crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2004-06-10 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,). Biochemistry, 43, 2004
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1THM
| CRYSTAL STRUCTURE OF THERMITASE AT 1.4 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, SODIUM ION, SULFATE ION, ... | Authors: | Teplyakov, A.V, Kuranova, I.P, Harutyunyan, E.H. | Deposit date: | 1992-02-24 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of thermitase at 1.4 A resolution. J.Mol.Biol., 214, 1990
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1T32
| A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1VKG
| Crystal Structure of Human HDAC8 complexed with CRA-19156 | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-13 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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