5UGD
| Protease Inhibitor | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | Deposit date: | 2017-01-08 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors. Blood Adv, 1, 2017
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8PSR
| ERK2 covalently bound to SynthRevD-12-opt artificial peptide | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Gogl, G, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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7ZVW
| NuA4 Histone Acetyltransferase Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ... | Authors: | Schultz, P, Ben-Shem, A, Frechard, A. | Deposit date: | 2022-05-17 | Release date: | 2023-05-31 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification. Nat.Struct.Mol.Biol., 30, 2023
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8PSY
| ERK2 covelently bound to RU68 cyclohexenone based inhibitor | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PT8
| JNK1 covalently bound to RU135 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond To Be Published
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3J4J
| Model of full-length T. thermophilus Translation Initiation Factor 2 refined against its cryo-EM density from a 30S Initiation Complex map | Descriptor: | Translation initiation factor IF-2 | Authors: | Simonetti, A, Marzi, S, Billas, I.M.L, Tsai, A, Fabbretti, A, Myasnikov, A, Roblin, P, Vaiana, A.C, Hazemann, I, Eiler, D, Steitz, T.A, Puglisi, J.D, Gualerzi, C.O, Klaholz, B.P. | Deposit date: | 2013-08-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Involvement of protein IF2 N domain in ribosomal subunit joining revealed from architecture and function of the full-length initiation factor. Proc.Natl.Acad.Sci.USA, 110, 2013
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6JD2
| Crystal structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+ at pH8.5 | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Putative ketol-acid reductoisomerase 2 | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J.Am.Chem.Soc., 141, 2019
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1FST
| CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | Deposit date: | 2000-09-11 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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4EJ7
| Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, ATP-bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside 3'-phosphotransferase AphA1-IAB, CALCIUM ION, ... | Authors: | Stogios, P.J, Minasov, G, Tan, K, Evdokimova, E, Egorova, O, Di Leo, R, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-06 | Release date: | 2012-04-18 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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5MVG
| Crystal structure of non-amyloidogenic light chain dimer M7 | Descriptor: | GLYCEROL, light chain dimer | Authors: | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
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7ZOE
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5U6L
| Solution structure of the zinc fingers 3 and 4 of MBNL1 | Descriptor: | Muscleblind-like protein 1, ZINC ION | Authors: | Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E. | Deposit date: | 2016-12-08 | Release date: | 2017-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T. Biochemistry, 56, 2017
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8PT5
| ERK2 covelently bound to RU187 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PTA
| JNK1 covalently bound to BD837 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond To Be Published
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2JP9
| Structure of the Wilms Tumor Suppressor Protein Zinc Finger Domain Bound to DNA | Descriptor: | DNA (5'-D(P*DCP*DGP*DCP*DGP*DGP*DGP*DGP*DGP*DCP*DGP*DTP*DCP*DTP*DGP*DCP*DGP*DC)-3'), DNA (5'-D(P*DGP*DCP*DGP*DCP*DAP*DGP*DAP*DCP*DGP*DCP*DCP*DCP*DCP*DCP*DGP*DCP*DG)-3'), Wilms tumor 1, ... | Authors: | Stoll, R, Lee, B.M, Debler, E.W, Laity, J.H, Wilson, I.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2007-04-30 | Release date: | 2007-10-30 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structure of the wilms tumor suppressor protein zinc finger domain bound to DNA J.Mol.Biol., 372, 2007
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2BTV
| ATOMIC MODEL FOR BLUETONGUE VIRUS (BTV) CORE | Descriptor: | PROTEIN (VP3 CORE PROTEIN), PROTEIN (VP7 CORE PROTEIN) | Authors: | Grimes, J.M, Burroughs, J.N, Gouet, P, Diprose, J.M, Malby, R, Zientras, S, Mertens, P.P.C, Stuart, D.I. | Deposit date: | 1998-09-05 | Release date: | 1998-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The atomic structure of the bluetongue virus core. Nature, 395, 1998
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8PT9
| JNK1 covalently bound to BD838 cyclohexenone based inhibitor | Descriptor: | Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond To Be Published
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5MX9
| High resolution crystal structure of the MCR-2 catalytic domain | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-2, ZINC ION | Authors: | Hinchliffe, P, Coates, K, Walsh, T.R, Spencer, J. | Deposit date: | 2017-01-22 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | 1.12 angstrom resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5MRV
| Crystal structure of human carboxypeptidase O in complex with NvCI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase O, Metallocarboxypeptidase inhibitor, ... | Authors: | Garcia-Pardo, J, Garcia-Guerrero, M.C, Fernandez-Alvarez, R, Lyons, P, Aviles, F.X, Lorenzo, J, Reverter, D. | Deposit date: | 2016-12-27 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Crystal structure and mechanism of human carboxypeptidase O: Insights into its specific activity for acidic residues. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8PST
| ERK2 covelently bound to RU60 cyclohexenone based inhibitor | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PT0
| ERK2 covelently bound to RU75 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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2Y6T
| Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis | Descriptor: | CHYMOTRYPSINOGEN A, ECOTIN, SULFATE ION | Authors: | Clark, E.A, Walker, N, Ford, D.C, Cooper, I.A, Oyston, P.C.F, Acharya, K.R. | Deposit date: | 2011-01-26 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia Pestis. J.Biol.Chem., 286, 2011
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4EGG
| Computationally Designed Self-assembling tetrahedron protein, T310 | Descriptor: | GLYCEROL, Putative acetyltransferase SACOL2570 | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2012-03-30 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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1FRE
| XNF7 BBOX, DEVELOPMENTAL PROTEIN, PH 7.5, 30 C, WITH ZINC, NMR, 1 STRUCTURE | Descriptor: | NUCLEAR FACTOR XNF7, ZINC ION | Authors: | Borden, K.L.B, Freemont, P.S. | Deposit date: | 1996-01-31 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Novel topology of a zinc-binding domain from a protein involved in regulating early Xenopus development. EMBO J., 14, 1995
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8PSW
| ERK2 covalently bound to RU67 cyclohexenone based inhibitor | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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