8J5X
 
 | | The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | | Descriptor: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2023-04-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09192252 Å) | | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
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8J63
 | | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | | Descriptor: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2023-04-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.0005 Å) | | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
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5YLF
 | | MCR-1 complex with D-glucose | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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3PPY
 | | Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S) | | Descriptor: | SODIUM ION, von Willebrand factor | | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | | Deposit date: | 2010-11-25 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
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5YLC
 | | Crystal Structure of MCR-1 Catalytic Domain | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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5YLE
 | | MCR-1 complex with ethanolamine (ETA) | | Descriptor: | ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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3PPV
 | | Crystal structure of an engineered VWF A2 domain (N1493C and C1670S) | | Descriptor: | CALCIUM ION, SULFATE ION, von Willebrand factor | | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | | Deposit date: | 2010-11-25 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
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5EOL
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6K5M
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-05-29 | | Release date: | 2020-06-03 | | Last modified: | 2021-09-22 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1BJJ
 | | AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | | Descriptor: | AGKISTRODOTOXIN, CALCIUM ION | | Authors: | Tang, L, Zhou, Y, Lin, Z. | | Deposit date: | 1998-06-25 | | Release date: | 1999-07-29 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit.
Acta Crystallogr.,Sect.D, 55, 1999
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4YES
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6AQ1
 | | The crystal structure of human FABP3 | | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | | Authors: | Hsu, H.C, Li, H. | | Deposit date: | 2017-08-18 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.40000093 Å) | | Cite: | SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.
Eur J Med Chem, 154, 2018
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4KFV
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6JM5
 | | Crystal structure of TBC1D23 C terminal domain | | Descriptor: | SODIUM ION, TBC1 domain family member 23 | | Authors: | Sun, Q, Huang, W. | | Deposit date: | 2019-03-07 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4KFW
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4L6Q
 | | ROCK2 in complex with benzoxaborole | | Descriptor: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2 | | Authors: | Rock, F, Jarnagin, K. | | Deposit date: | 2013-06-12 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
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8G0M
 | | Structure of complex between TV6.6 and CD98hc ECD | | Descriptor: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ... | | Authors: | Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C. | | Deposit date: | 2023-01-31 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
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3ATK
 | | Crystal structure of trypsin complexed with cycloheptanamine | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATI
 | | Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATM
 | | Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATL
 | | Crystal structure of trypsin complexed with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3VM7
 | | Structure of an Alpha-Amylase from Malbranchea cinnamomea | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Zhou, P, Hu, S.Q, Zhou, Y, Han, P, Yang, S.Q, Jiang, Z.Q. | | Deposit date: | 2011-12-09 | | Release date: | 2013-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure.
Appl Biochem Biotechnol., 170, 2013
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6JQ3
 | | Crystal Structure of H2-Kb in complex with a DPAGT1 mutant peptide | | Descriptor: | Beta-2-microglobulin, DPAGT1 mutant antigen SIIVFNLL, H-2 class I histocompatibility antigen, ... | | Authors: | Bai, P, Zhou, Q, Wei, P, Yin, L. | | Deposit date: | 2019-03-28 | | Release date: | 2020-05-06 | | Last modified: | 2021-02-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
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6JTN
 | | Crystal structure of HLA-C08 in complex with a tumor mut10m peptide | | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I antigen, ... | | Authors: | Bai, P, Zhou, Q, Wei, P, Yin, L. | | Deposit date: | 2019-04-11 | | Release date: | 2020-04-15 | | Last modified: | 2021-02-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
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6JBT
 | | Complex structure of toripalimab-Fab and PD-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ... | | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | | Deposit date: | 2019-01-26 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
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