4FP1
 
 | | P. putida mandelate racemase co-crystallized with 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl) propionic acid | | Descriptor: | 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid, MAGNESIUM ION, Mandelate racemase | | Authors: | Lietzan, A.D, St.Maurice, M. | | Deposit date: | 2012-06-21 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Potent inhibition of mandelate racemase by a fluorinated substrate-product analogue with a novel binding mode.
Biochemistry, 53, 2014
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7EA6
 | | Crystal structure of TCR-017 ectodomain | | Descriptor: | T cell receptor 017 alpha chain, T cell receptor 017 beta chain | | Authors: | Nagae, M, Yamasaki, S. | | Deposit date: | 2021-03-06 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.18000245 Å) | | Cite: | Identification of conserved SARS-CoV-2 spike epitopes that expand public cTfh clonotypes in mild COVID-19 patients.
J.Exp.Med., 218, 2021
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7E4J
 | | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41. | | Descriptor: | Antitoxin, ZINC ION | | Authors: | Pratap, S, Megta, A.K, Talwar, S, Chandresh, S, Pandey, A.K, Krishnan, V. | | Deposit date: | 2021-02-13 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41.
To be published
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7F40
 | | Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, LPCAT3, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | | Deposit date: | 2021-06-17 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
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5TRU
 | | Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | | Descriptor: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | | Authors: | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | | Deposit date: | 2016-10-27 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7F5K
 | | Crystal structure of TCR4-1 ectodomain | | Descriptor: | T cell receptor alpha chain, T cell receptor beta chain | | Authors: | Nagae, M, Yamasaki, S. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.0000298 Å) | | Cite: | Symbiotic bacteria-dependent expansion of MR1-reactive T cells causes autoimmunity in the absence of Bcl11b.
Nat Commun, 13, 2022
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5UTY
 | | Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ... | | Authors: | Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D. | | Deposit date: | 2017-02-15 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.412 Å) | | Cite: | Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
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7FZ1
 | | Crystal Structure of human FABP4 in complex with 3-[(E)-anilino-(2-oxo-1H-indol-3-ylidene)methyl]sulfanylpropanoic acid | | Descriptor: | 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Mischke, S, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FWN
 | | Crystal Structure of human FABP4 in complex with 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid | | Descriptor: | 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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5V7P
 | | Atomic structure of the eukaryotic intramembrane Ras methyltransferase ICMT (isoprenylcysteine carboxyl methyltransferase), in complex with a monobody | | Descriptor: | DECANE, Protein-S-isoprenylcysteine O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Long, S.B, Diver, M.M, Pedi, L, Koide, A, Koide, S. | | Deposit date: | 2017-03-20 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Atomic structure of the eukaryotic intramembrane RAS methyltransferase ICMT.
Nature, 553, 2018
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5V8F
 | | Structural basis of MCM2-7 replicative helicase loading by ORC-Cdc6 and Cdt1 | | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (39-MER), ... | | Authors: | Yuan, Z, Riera, A, Bai, L, Sun, J, Spanos, C, Chen, Z.A, Barbon, M, Rappsilber, J, Stillman, B, Speck, C, Li, H. | | Deposit date: | 2017-03-21 | | Release date: | 2017-05-10 | | Last modified: | 2020-04-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of Mcm2-7 replicative helicase loading by ORC-Cdc6 and Cdt1.
Nat. Struct. Mol. Biol., 24, 2017
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7FWH
 | | Crystal Structure of human FABP4 in complex with 3-[5-(3,5-dichlorophenyl)tetrazol-2-yl]propanoic acid | | Descriptor: | 3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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5T1Z
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide | | Descriptor: | 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Fanning, S.W, Rajan, S.S, Maximov, P.Y, Abderrahman, B.H, Surojeet, S, Fernandes, D.J, Fan, P, Curpan, R.F, Greene, G.L, Jordan, V.C. | | Deposit date: | 2016-08-22 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
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5U6X
 | | COX-1:P6 COMPLEX STRUCTURE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A. | | Deposit date: | 2016-12-09 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
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7HSC
 | | HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES | | Descriptor: | PROTEIN (HEAT SHOCK COGNATE 70 KD PROTEIN 1) | | Authors: | Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P. | | Deposit date: | 1999-05-03 | | Release date: | 1999-05-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70.
J.Mol.Biol., 289, 1999
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7FXB
 | | Crystal Structure of human FABP4 in complex with 2-methyl-2-(2,3,4,5,6-pentachlorophenoxy)propanoic acid | | Descriptor: | 2-methyl-2-(pentachlorophenoxy)propanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Wain, R, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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5T3A
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5VE6
 | | Crystal structure of Sugen kinase 223 | | Descriptor: | Tyrosine-protein kinase SgK223 | | Authors: | Patel, O, Lucet, I, Panjikar, S. | | Deposit date: | 2017-04-03 | | Release date: | 2017-10-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.953 Å) | | Cite: | Structure of SgK223 pseudokinase reveals novel mechanisms of homotypic and heterotypic association.
Nat Commun, 8, 2017
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7JOA
 | | 2:1 cGAS-nucleosome complex | | Descriptor: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ... | | Authors: | Boyer, J.A, Spangler, C.J, Strauss, J.D, Cesmat, A.P, Liu, P, McGinty, R.K, Zhang, Q. | | Deposit date: | 2020-08-06 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of nucleosome-dependent cGAS inhibition.
Science, 370, 2020
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5VRQ
 | | Crystal structure of Legionella pneumophila effector AnkC | | Descriptor: | Ankyrin repeat-containing protein | | Authors: | Kozlov, G, Wong, K, Wang, W, Skubak, P, Munoz-Escobar, J, Liu, Y, Pannu, N.S, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2017-05-11 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.205 Å) | | Cite: | Ankyrin repeats as a dimerization module.
Biochem. Biophys. Res. Commun., 495, 2018
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7FSV
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1454310449 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FT9
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FTA
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSJ
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSU
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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