4XJ0
 
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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4E4X
 | | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | | Descriptor: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 22, 2012
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3SKC
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3CP1
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4EHG
 | | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | | Descriptor: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C. | | Deposit date: | 2012-04-02 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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4EHE
 | | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | | Descriptor: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C. | | Deposit date: | 2012-04-02 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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5E1J
 | | Structure of voltage-gated two-pore channel TPC1 from Arabidopsis thaliana | | Descriptor: | BARIUM ION, CALCIUM ION, Two pore calcium channel protein 1 | | Authors: | Guo, J, Zeng, W, Chen, Q, Lee, C, Chen, L, Yang, Y, Jiang, Y. | | Deposit date: | 2015-09-29 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.308 Å) | | Cite: | Structure of the voltage-gated two-pore channel TPC1 from Arabidopsis thaliana.
Nature, 531, 2016
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4G9R
 | | B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor | | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-07-24 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1W22
 | | Crystal structure of inhibited human HDAC8 | | Descriptor: | HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ... | | Authors: | Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S. | | Deposit date: | 2004-06-25 | | Release date: | 2004-09-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor
Proc.Natl.Acad.Sci.USA, 101, 2004
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7N65
 | | Complex structure of HIV superinfection Fab QA013.2 and BG505.SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp41, ... | | Authors: | Mangala Prasad, V, Shipley, M.M, Overbaugh, J.M, Lee, K.K. | | Deposit date: | 2021-06-07 | | Release date: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (4.15 Å) | | Cite: | Functional development of a V3/glycan-specific broadly neutralizing antibody isolated from a case of HIV superinfection.
Elife, 10, 2021
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4GBI
 | | Crystal structure of aspart insulin at pH 6.5 | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C. | | Deposit date: | 2012-07-27 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
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4GBL
 | | Crystal structure of aspart insulin at pH 8.5 | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C. | | Deposit date: | 2012-07-27 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
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5VRE
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8BQU
 | | Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament | | Descriptor: | Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L. | | Deposit date: | 2022-11-21 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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5YKL
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5YKQ
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5YKK
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8BT1
 | | YdaT transcription regulator (CII functional analog) | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Prolic-Kalinsek, M, Loris, R. | | Deposit date: | 2022-11-27 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39788437 Å) | | Cite: | Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
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8C7K
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5LJF
 | | Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose | | Descriptor: | Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dutoit, R, Collet, L, Galleni, M, Bauvois, C. | | Deposit date: | 2016-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.734396 Å) | | Cite: | Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
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8RKI
 | | Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment | | Descriptor: | Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ... | | Authors: | Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKF
 | | Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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5WA1
 | | CHMP4C A232T in complex with ALIX BRO1 | | Descriptor: | Charged multivesicular body protein 4c, Programmed cell death 6-interacting protein | | Authors: | Wenzel, D.M, Alam, S.L, Sundquist, W.I. | | Deposit date: | 2017-06-24 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | A cancer-associated polymorphism in ESCRT-III disrupts the abscission checkpoint and promotes genome instability.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6WG7
 | | Coordinates of NanR dimer fitted in Hexameric NanR-DNA hetero-complex cryo-EM map | | Descriptor: | DNA (35-MER), HTH-type transcriptional repressor NanR | | Authors: | Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D. | | Deposit date: | 2020-04-05 | | Release date: | 2021-03-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (8.3 Å) | | Cite: | Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism.
Nat Commun, 12, 2021
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6WFQ
 | | NanR dimer-DNA hetero-complex | | Descriptor: | DNA (5'-D(P*GP*GP*TP*AP*TP*AP*AP*CP*AP*GP*GP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*CP*CP*TP*GP*TP*TP*AP*TP*AP*CP*C)-3'), HTH-type transcriptional repressor NanR | | Authors: | Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D. | | Deposit date: | 2020-04-03 | | Release date: | 2021-03-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism.
Nat Commun, 12, 2021
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