5Y4L
 
 | | PRRSV nsp4 | | Descriptor: | Non-structural protein | | Authors: | Shi, Y.J, Gang, Y, Peng, G.Q. | | Deposit date: | 2017-08-04 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus.
Vet. Microbiol., 213, 2018
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6JZH
 | | Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Nango, E, Shimamura, T, Nakane, T, Yamanaka, Y, Mori, C, Kimura, K.T, Fujiwara, T, Tanaka, T, Iwata, S. | | Deposit date: | 2019-05-02 | | Release date: | 2019-10-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
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3CLE
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3ORN
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | | Descriptor: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | Deposit date: | 2010-09-07 | | Release date: | 2011-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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3OS3
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | | Descriptor: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | Deposit date: | 2010-09-08 | | Release date: | 2011-07-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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6JZI
 | | Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S. | | Deposit date: | 2019-05-02 | | Release date: | 2019-10-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
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5B7V
 | | Human FGFR1 kinase in complex with CH5183284 | | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone | | Authors: | Fukami, T.A, Lukacs, C.M, Janson, C. | | Deposit date: | 2016-06-09 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014
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8T7C
 | | Crystal structure of human phospholipase C gamma 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION | | Authors: | Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J. | | Deposit date: | 2023-06-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
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4RBO
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3FV8
 | | JNK3 bound to piperazine amide inhibitor, SR2774. | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10 | | Authors: | Habel, J.E. | | Deposit date: | 2009-01-15 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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1QG7
 | | STROMA CELL-DERIVED FACTOR-1ALPHA (SDF-1ALPHA) | | Descriptor: | STROMAL CELL-DERIVED FACTOR 1 ALPHA, SULFATE ION | | Authors: | Senda, T, Nandhagopal, N, Sugimoto, K, Mitsui, Y. | | Deposit date: | 1999-04-21 | | Release date: | 2001-02-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of recombinant native SDF-1alpha with additional mutagenesis studies: an attempt at a more comprehensive interpretation of accumulated structure-activity relationship data.
J.Interferon Cytokine Res., 20, 2000
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6P8Z
 | | Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor | | Descriptor: | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-06-08 | | Release date: | 2019-08-28 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
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6P8W
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6P8Y
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6P8X
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8E32
 | | E. coli 50S ribosome bound to compound streptogramin analogs SA1 and SB1 | | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-16 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Potential for clicked streptogramin analogs
To Be Published
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8E35
 | | E. coli 50S ribosome bound to compound SAB002 | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-16 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | Potential for clicked streptogramin analogs
To Be Published
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8E33
 | | E. coli 50S ribosome bound to compound streptogramin analog SAB001 | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-16 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Potential for clicked streptogramin analogs
To Be Published
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8JNA
 | | CRAF ras-binding domain chimera, apo form | | Descriptor: | RAF proto-oncogene serine/threonine-protein kinase, CRaf | | Authors: | Kawamura, T, Kumasaka, T. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
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8JNB
 | | CRAF ras-binding domain chimera, ligand complex | | Descriptor: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf | | Authors: | Kawamura, T, Kumasaka, T. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
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5EDS
 | | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2015-10-21 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
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6LCS
 | | Crystal structure of 73MuL9 Fv-clasp fragment in complex with GA-pyridine analogue | | Descriptor: | (2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid, PHOSPHATE ION, VH-SARAH, ... | | Authors: | Nakamura, T, Takagi, J, Yamagata, Y, Morioka, H. | | Deposit date: | 2019-11-19 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular recognition of a single-chain Fv antibody specific for GA-pyridine, an advanced glycation end-product (AGE), elucidated using biophysical techniques and synthetic antigen analogues.
J.Biochem., 170, 2021
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2ZMA
 | | Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | | Authors: | Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. | | Deposit date: | 2008-04-14 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
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3WJU
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3WJT
 | | Crystal structure of the L68D variant of mLolB | | Descriptor: | CHLORIDE ION, Outer-membrane lipoprotein LolB, SULFATE ION | | Authors: | Takeda, K, Tokuda, H, Miki, K. | | Deposit date: | 2013-10-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Roles of the Protruding Loop of Factor B Essential for the Localization of Lipoproteins (LolB) in the Anchoring of Bacterial Triacylated Proteins to the Outer Membran
J.Biol.Chem., 289, 2014
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