7A06
| Structure of human CKa1 in complex with compound o | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | Deposit date: | 2020-08-06 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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5A2S
| Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors | Descriptor: | (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | Authors: | Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C. | Deposit date: | 2015-05-22 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett., 7, 2016
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2C91
| mouse succinic semialdehyde reductase, AKR7A5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 2, GLYCEROL, ... | Authors: | Zhu, X, Ellis, E.M, Lapthorn, A.J. | Deposit date: | 2005-12-08 | Release date: | 2006-02-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Mouse Succinic Semialdehyde Reductase Akr7A5: Structural Basis for Substrate Specificity. Biochemistry, 45, 2006
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1GNP
| X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP | Descriptor: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID 3'-O-(N-METHYLANTHRANILOYL-2'-DEOXYGUANYLATE ESTER | Authors: | Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S. | Deposit date: | 1995-05-11 | Release date: | 1995-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp. J.Mol.Biol., 253, 1995
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6EYO
| Structure of extended IgE-Fc in complex with two anti-IgE Fabs | Descriptor: | 8D6 Fab heavy chain, 8D6 Fab light chain, Immunoglobulin heavy constant epsilon, ... | Authors: | Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M. | Deposit date: | 2017-11-13 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody. Sci Rep, 8, 2018
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6ZYV
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5AJL
| Sdsa sulfatase tetragonal | Descriptor: | ALKYL SULFATASE, ZINC ION | Authors: | De la Mora, E, Flores-Hernandez, E, Jakoncic, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A. | Deposit date: | 2015-02-25 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques J.Appl.Crystallogr., 48, 2015
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5A5R
| Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one | Descriptor: | 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2015-06-20 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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7AB1
| Crystal structure of MerTK kinase domain in complex with Gilteritinib | Descriptor: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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6F55
| Complex structure of PACSIN SH3 domain and TRPV4 proline rich region | Descriptor: | PACSIN 3, PRR | Authors: | Glogowski, N.A, Goretzki, B, Diehl, E, Duchardt-Ferner, E, Hacker, C, Hellmich, U.A. | Deposit date: | 2017-11-30 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of TRPV4 N Terminus Interaction with Syndapin/PACSIN1-3 and PIP2. Structure, 26, 2018
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5FHY
| Crystal structure of FliD (HAP2) from Pseudomonas aeruginosa PAO1 | Descriptor: | B-type flagellar hook-associated protein 2, SODIUM ION | Authors: | Postel, S, Bonsor, D, Diederichs, K, Sundberg, E.J. | Deposit date: | 2015-12-22 | Release date: | 2016-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Bacterial flagellar capping proteins adopt diverse oligomeric states. Elife, 5, 2016
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8RVQ
| 20S proteasome from pre1-1 | Descriptor: | Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P. | Deposit date: | 2024-02-01 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (2.02 Å) | Cite: | Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis. Life Sci Alliance, 7, 2024
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2XJZ
| Crystal structure of the LMO2:LDB1-LID complex, C2 crystal form | Descriptor: | CHLORIDE ION, LIM DOMAIN-BINDING PROTEIN 1, RHOMBOTIN-2, ... | Authors: | El Omari, K, Karia, D, Porcher, C, Mancini, E.J. | Deposit date: | 2010-07-06 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Leukemia Oncogene Lmo2: Implications for the Assembly of a Hematopoietic Transcription Factor Complex. Blood, 117, 2011
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5VWV
| Bak core latch dimer in complex with Bim-BH3 - Cubic | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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8EXH
| Agrobacterium tumefaciens Tpilus | Descriptor: | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate, Protein virB2 | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-10-25 | Release date: | 2023-03-22 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery Nat Commun, 14, 2023
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5VX2
| Mcl-1 in complex with Bim-h3Pc-RT | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | Authors: | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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7AAX
| Crystal structure of MerTK kinase domain in complex with LDC1267 | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide | Authors: | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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7AB0
| Apo crystal structure of the MerTK kinase domain | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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8RVL
| Proteasomal late precursor complex from pre1-1 | Descriptor: | Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ... | Authors: | Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P. | Deposit date: | 2024-02-01 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis. Life Sci Alliance, 7, 2024
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8RVO
| Proteasomal late precursor complex from pre1-1, state 1 | Descriptor: | Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ... | Authors: | Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P. | Deposit date: | 2024-02-01 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis. Life Sci Alliance, 7, 2024
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4R1E
| Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | Descriptor: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | Authors: | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | Deposit date: | 2014-08-05 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex. Chemmedchem, 10, 2015
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1HGJ
| BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... | Authors: | Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C. | Deposit date: | 1991-11-01 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry, 31, 1992
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6ZZ0
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7A86
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7A8G
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