5AAC
 
 | | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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2YJS
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2YFX
 | | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | | Deposit date: | 2011-04-08 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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2YHV
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2YJR
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5WST
 | | Crystal structure of Myo7a SAH | | Descriptor: | Unconventional myosin-VIIa | | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | | Deposit date: | 2016-12-08 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
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5WSU
 | | Crystal structure of Myosin VIIa IQ5-SAH in complex with apo-CaM | | Descriptor: | Calmodulin, Unconventional myosin-VIIa | | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | | Deposit date: | 2016-12-08 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
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5WSV
 | | Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM | | Descriptor: | CALCIUM ION, Calmodulin, SULFATE ION, ... | | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | | Deposit date: | 2016-12-08 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
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7VTR
 | | 3-ketoacyl-CoA thiolase Tfu_0875 | | Descriptor: | Thiolase | | Authors: | Liu, L.X, Zhou, S.H, Deng, Y. | | Deposit date: | 2021-10-30 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Rational Design of the Substrate Tunnel of beta-Ketothiolase Reveals a Local Cationic Domain Modulated Rule that Improves the Efficiency of Claisen Condensation
Acs Catalysis, 13, 2023
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7W0J
 | | Acyl-CoA dehydrogenase, Tfu_1647 | | Descriptor: | Acyl-CoA dehydrogenase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Liu, L.X, Zhou, S.H, Deng, Y. | | Deposit date: | 2021-11-18 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Crystal structure of an Acyl-CoA dehydrogenase Tfu_1647
To Be Published
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6DAM
 | | Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G | | Descriptor: | LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ... | | Authors: | Deng, Y, Ro, S.Y, Rosenzweig, A.C. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C.
J. Biol. Inorg. Chem., 23, 2018
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4NJ3
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7KD7
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7KPU
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3CK4
 | | A heterospecific leucine zipper tetramer | | Descriptor: | GCN4 leucine zipper, MAGNESIUM ION | | Authors: | Liu, J. | | Deposit date: | 2008-03-14 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
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3CRP
 | | A heterospecific leucine zipper tetramer | | Descriptor: | GCN4 leucine zipper, SODIUM ION | | Authors: | Liu, J. | | Deposit date: | 2008-04-07 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
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2NRN
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7EN0
 | | Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves | | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE | | Authors: | Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BYR
 | | BD23-Fab in complex with the S ectodomain trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ... | | Authors: | Zhu, Q, Wang, G, Xiao, J. | | Deposit date: | 2020-04-24 | | Release date: | 2020-06-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
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7BQY
 | | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | Deposit date: | 2020-03-26 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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2R2V
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Hruza, A. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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3KMC
 | | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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6PU7
 | | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-07-17 | | Release date: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
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4NSW
 | | Crystal structure of the BAR-PH domain of ACAP1 | | Descriptor: | Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1 | | Authors: | Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F. | | Deposit date: | 2013-11-29 | | Release date: | 2014-10-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A PH Domain in ACAP1 Possesses Key Features of the BAR Domain in Promoting Membrane Curvature
Dev.Cell, 31, 2014
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