6YET
 
 | | Second EH domain of AtEH1/Pan1 | | Descriptor: | CALCIUM ION, Calcium-binding EF hand family protein | | Authors: | Yperman, K, Papageorgiou, A, Evangelidis, T, Van Damme, D, Tripsianes, K. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-31 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding.
Nat Commun, 12, 2021
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6MH2
 | | Structure of Herceptin Fab without antigen | | Descriptor: | Herceptin Fab arm heavy chain, Herceptin Fab arm light chain | | Authors: | Luthra, A, Langley, D.B, Christie, M, Christ, D. | | Deposit date: | 2018-09-17 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human Antibody Bispecifics through Phage Display Selection.
Biochemistry, 58, 2019
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6Z3Y
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1UHL
 | | Crystal structure of the LXRalfa-RXRbeta LBD heterodimer | | Descriptor: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID, 10-mer peptide from Nuclear receptor coactivator 2, N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, ... | | Authors: | Svensson, S, Ostberg, T, Jacobsson, M, Norstrom, C, Stefansson, K, Hallen, D, Johansson, I.C, Zachrisson, K, Ogg, D, Jendeberg, L. | | Deposit date: | 2003-07-03 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the heterodimeric complex of LXRalpha and RXRbeta ligand-binding domains in a fully agonistic conformation
Embo J., 22, 2003
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8G8W
 | | Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | | Descriptor: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | | Authors: | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | | Deposit date: | 2023-02-20 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
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6SNC
 | | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LNO1 Heavy Chain, ... | | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2019-08-23 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
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6N4N
 | | Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | | Authors: | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | | Deposit date: | 2018-11-19 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Multi-input chemical control of protein dimerization for programming graded cellular responses.
Nat.Biotechnol., 37, 2019
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | Deposit date: | 2017-03-23 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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6MXC
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6C2Q
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-L-Serine Intermediate | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-08 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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8JV7
 | | Cryo-EM structure of the panda P2X7 receptor in complex with PPADS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid, P2X purinoceptor | | Authors: | Sheng, D, Hattori, M. | | Deposit date: | 2023-06-27 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists.
Elife, 12, 2024
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5D25
 | | First bromodomain of BRD4 bound to inhibitor XD27 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | | Deposit date: | 2015-08-05 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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6XVK
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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8JV8
 | | Cryo-EM structure of the panda P2X7 receptor in complex with PPNDS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, P2X purinoceptor | | Authors: | Sheng, D, Hattori, M. | | Deposit date: | 2023-06-27 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists.
Elife, 12, 2024
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6SNE
 | | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LN01 heavy chain, ... | | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2019-08-23 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
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6G52
 | | CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4 | | Descriptor: | Metal transporter CNNM4 | | Authors: | Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2018-03-28 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.691 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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6XV9
 | | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6VQN
 | | Co-crystal structure of human PD-L1 complexed with Compound A | | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | | Deposit date: | 2020-02-05 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
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1S53
 | | Thr46Ser Bacteriorhodopsin | | Descriptor: | RETINAL, bacteriorhodopsin | | Authors: | Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U. | | Deposit date: | 2004-01-19 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
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6C99
 | | Crystal structure of FcRn bound to UCB-303 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ... | | Authors: | Fox III, D, Abendroth, J, Porter, J, Deboves, H. | | Deposit date: | 2018-01-25 | | Release date: | 2018-05-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
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6NLE
 | | X-ray structure of LeuT with V269 deletion | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Navratna, V, Yang, D, Gouaux, E. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.615 Å) | | Cite: | Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion inSLC6A3.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7U9G
 | | Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ... | | Authors: | Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O. | | Deposit date: | 2022-03-10 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Sci Adv, 8, 2022
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5D3N
 | | First bromodomain of BRD4 bound to inhibitor XD40 | | Descriptor: | 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Wohlwend, D, Huegle, M. | | Deposit date: | 2015-08-06 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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5D3T
 | | First bromodomain of BRD4 bound to inhibitor XD47 | | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | | Authors: | Wohlwend, D, Huegle, M. | | Deposit date: | 2015-08-06 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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6VRH
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-03-11 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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