4GEV
| E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase | Authors: | Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase. J.Am.Chem.Soc., 134, 2012
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4L9K
| X-ray study of human serum albumin complexed with camptothecin | Descriptor: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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4LB2
| X-ray study of human serum albumin complexed with idarubicin | Descriptor: | IDARUBICIN, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-20 | Release date: | 2013-07-24 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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4LB9
| X-ray study of human serum albumin complexed with etoposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-20 | Release date: | 2013-07-24 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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4L9Q
| X-ray study of human serum albumin complexed with teniposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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4L8U
| X-ray study of human serum albumin complexed with 9 amino camptothecin | Descriptor: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid, MYRISTIC ACID, Serum albumin | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-17 | Release date: | 2013-07-24 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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4LA0
| X-ray study of human serum albumin complexed with bicalutamide | Descriptor: | R-BICALUTAMIDE, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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6XJA
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6XJB
| IgA1 Protease | Descriptor: | Immunoglobulin A1 protease | Authors: | Eisenmesser, E.Z, Zheng, H. | Deposit date: | 2020-06-23 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease. Nat Commun, 11, 2020
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6GWR
| Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-06-25 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2. J. Med. Chem., 61, 2018
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6J1Z
| WWP2 semi-open conformation | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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6J1X
| WWP1 close conformation | Descriptor: | GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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6J1Y
| Semi-open conformation E3 ligase | Descriptor: | GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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7SYY
| Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, ... | Authors: | Xu, K, Xu, Y. | Deposit date: | 2021-11-25 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SYZ
| Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, Antibody hAH1.3 light chain, ... | Authors: | Xu, K, Xu, Y. | Deposit date: | 2021-11-25 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant. Proc.Natl.Acad.Sci.USA, 119, 2022
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6IR2
| Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution | Descriptor: | MCherry fluorescent protein, mCherry's nanobody LaM2 | Authors: | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | Deposit date: | 2018-11-09 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.393 Å) | Cite: | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry. Protein Sci., 30, 2021
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6IR1
| Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution | Descriptor: | MCherry fluorescent protein, mCherry's nanobody LaM4 | Authors: | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | Deposit date: | 2018-11-09 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.919 Å) | Cite: | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry. Protein Sci., 30, 2021
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7XAF
| The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | Descriptor: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2022-03-17 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.001182 Å) | Cite: | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance. J.Med.Chem., 65, 2022
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7KDE
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8VWP
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8TVI
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8TVB
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6NNR
| high-resolution structure of wild-type E. coli thymidylate synthase | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Stroud, R.M, Finer-Moore, J. | Deposit date: | 2019-01-15 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site. J. Am. Chem. Soc., 135, 2013
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8HK7
| Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ... | Authors: | Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y. | Deposit date: | 2022-11-25 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands. Proc.Natl.Acad.Sci.USA, 121, 2024
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8GYW
| Cryo-EM structure of human CEPT1 complexed with CDP-choline | Descriptor: | Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | Authors: | Qian, H.W, Wang, Z.H. | Deposit date: | 2022-09-24 | Release date: | 2023-03-22 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1. Nat Commun, 14, 2023
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