2OC0
| Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC7
| Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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6O2Q
| Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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8Q20
| Crystal structure of Vanadium-dependent haloperoxidase R425D mutant (A. marina) | Descriptor: | PHOSPHATE ION, SULFATE ION, Vanadium-dependent bromoperoxidase, ... | Authors: | Zeides, P, Bellmannn-Sickert, K, Zhang, R, Seel, C.J, Most, V, Schroeder, C.T, Groll, M, Gulder, T. | Deposit date: | 2023-08-01 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Unraveling the Molecular Basis of Substrate Specificity and Halogen Activation in Vanadium-Dependent Haloperoxidases to be published
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8Q21
| Crystal structure of Vanadium-dependent haloperoxidase R425S mutant (A. marina) | Descriptor: | PHOSPHATE ION, SODIUM ION, Vanadium-dependent bromoperoxidase, ... | Authors: | Zeides, P, Bellmannn-Sickert, K, Zhang, R, Seel, C.J, Most, V, Schroeder, C.T, Groll, M, Gulder, T. | Deposit date: | 2023-08-01 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Unraveling the Molecular Basis of Substrate Specificity and Halogen Activation in Vanadium-Dependent Haloperoxidases to be published
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8Q22
| Crystal structure of Vanadium-dependent haloperoxidase R425S mutant in complex with 1,3,5-trimethoxybenzene (A. marina) | Descriptor: | 1,3,5-trimethoxybenzene, PHOSPHATE ION, SODIUM ION, ... | Authors: | Zeides, P, Bellmannn-Sickert, K, Zhang, R, Seel, C.J, Most, V, Schroeder, C.T, Groll, M, Gulder, T. | Deposit date: | 2023-08-01 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Unraveling the Molecular Basis of Substrate Specificity and Halogen Activation in Vanadium-Dependent Haloperoxidases to be published
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5NJ6
| Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution | Descriptor: | Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2 | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | Deposit date: | 2017-03-28 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2. Nature, 545, 2017
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5NDD
| Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | Deposit date: | 2017-03-08 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2. Nature, 545, 2017
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5NDZ
| Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution | Descriptor: | 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | Deposit date: | 2017-03-09 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2. Nature, 545, 2017
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7SJ8
| 13pf wildtype microtubule from recombinant human tubulin decorated with kinesin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SJ9
| 13pf E254A microtubule from recombinant human tubulin decorated with EB3 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Microtubule-associated protein RP/EB family member 3, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SJA
| Undecorated 13pf E254N microtubule from recombinant human tubulin | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1B chain, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SJ7
| Undecorated 13pf wildtype microtubule from recombinant human tubulin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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6U42
| Natively decorated ciliary doublet microtubule | Descriptor: | DC1, DC2, DC3, ... | Authors: | Ma, M, Stoyanova, M, Rademacher, G, Dutcher, S.K, Brown, A, Zhang, R. | Deposit date: | 2019-08-22 | Release date: | 2019-11-13 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the Decorated Ciliary Doublet Microtubule. Cell, 179, 2019
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6P9E
| Crystal structure of IL-36gamma complexed to A-552 | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | Deposit date: | 2019-06-10 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis. Sci Rep, 9, 2019
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4ZHQ
| Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-26 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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4ZI7
| CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-27 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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4ZOL
| Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | Descriptor: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-05-06 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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5B63
| Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg) | Descriptor: | Arginine--tRNA ligase, tRNA-Arg | Authors: | Zhou, M, Ye, S, Stephen, P, Zhang, R, Wang, E.D, Giege, R, Lin, S.X. | Deposit date: | 2016-05-24 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg) To Be Published
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5COA
| Crystal structure of iridoid synthase at 2.2-angstrom resolution | Descriptor: | HEXAETHYLENE GLYCOL, Iridoid synthase, SULFATE ION | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | Deposit date: | 2015-07-20 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity. J.Struct.Biol., 194, 2016
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5CMZ
| Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ... | Authors: | Zhu, Y, Ye, S, Zhang, R. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.574 Å) | Cite: | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep, 5, 2015
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5COB
| Crystal structure of iridoid synthase in complex with NADP+ and 8-oxogeranial at 2.65-angstrom resolution | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | Deposit date: | 2015-07-20 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity. J.Struct.Biol., 194, 2016
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5CN0
| Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR | Descriptor: | DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION | Authors: | Zhu, Y, Ye, S, Zhang, R. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep, 5, 2015
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5CMU
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6DE8
| Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase from Campylobacter jejuni | Descriptor: | Bifunctional protein FolD, CHLORIDE ION, GLYCEROL, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Zhang, R, Peterson, S.N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-11 | Release date: | 2018-05-30 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase from Campylobacter jejuni To Be Published
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