7UB6
 
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3EFW
 | | Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | | Descriptor: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | | Authors: | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | | Deposit date: | 2008-09-10 | | Release date: | 2008-12-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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3F7O
 | | Crystal structure of Cuticle-Degrading Protease from Paecilomyces lilacinus (PL646) | | Descriptor: | (MSU)(ALA)(ALA)(PRO)(VAL), CALCIUM ION, Serine protease | | Authors: | Liang, L, Lou, Z, Meng, Z, Rao, Z, Zhang, K. | | Deposit date: | 2008-11-10 | | Release date: | 2009-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
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6UTS
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6USY
 | | COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | | Descriptor: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | | Authors: | Weihofen, W.A, Clark, K, Nunes, S. | | Deposit date: | 2019-10-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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5YWO
 | | Structure of JEV-2F2 Fab complex | | Descriptor: | 2F2 heavy chain, 2F2 light chain, JEV E protein, ... | | Authors: | Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z. | | Deposit date: | 2017-11-29 | | Release date: | 2018-03-21 | | Last modified: | 2018-09-12 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
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3G6L
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5YWF
 | | Crystal structure of 2H4 Fab | | Descriptor: | 2H4 heavy chain, 2H4 light chain | | Authors: | Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z. | | Deposit date: | 2017-11-29 | | Release date: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
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3G6M
 | | crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine | | Descriptor: | CAFFEINE, Chitinase | | Authors: | Gan, Z, Yang, J, Lou, Z, Rao, Z, Zhang, K.-Q. | | Deposit date: | 2009-02-06 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure and mutagenesis analysis of chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with the inhibitor caffeine
Microbiology, 156, 2010
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3F7M
 | | Crystal structure of apo Cuticle-Degrading Protease (ver112) from Verticillium psalliotae | | Descriptor: | Alkaline serine protease ver112 | | Authors: | Liang, L, Lou, Z, Ye, F, Meng, Z, Rao, Z, Zhang, K. | | Deposit date: | 2008-11-09 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
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3EWH
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-10-15 | | Release date: | 2009-08-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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3HBW
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5ZYA
 | | SF3b spliceosomal complex bound to E7107 | | Descriptor: | PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ... | | Authors: | Finci, L.I, Larsen, N.A. | | Deposit date: | 2018-05-23 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | The cryo-EM structure of the SF3b spliceosome complex bound to a splicing modulator reveals a pre-mRNA substrate competitive mechanism of action
Genes Dev., 32, 2018
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2JRH
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6M1I
 | | CryoEM structure of human PAC1 receptor in complex with PACAP38 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-11 | | Last modified: | 2020-05-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
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5V0N
 | | BACE1 in complex with inhibitor 5g | | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | | Deposit date: | 2017-02-28 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.155 Å) | | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017
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6M1H
 | | CryoEM structure of human PAC1 receptor in complex with maxadilan | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-11 | | Last modified: | 2020-05-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
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5VMR
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5YWP
 | | JEV-2H4 Fab complex | | Descriptor: | 2H4 heavy chain, 2H4 light chain, JEV E protein, ... | | Authors: | Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H. | | Deposit date: | 2017-11-29 | | Release date: | 2018-05-02 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
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5VSW
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5VID
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5VLI
 | | Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bernard, S.M, Wilson, I.A. | | Deposit date: | 2017-04-25 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
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5W1S
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5W1T
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