1K5D
 
 | | Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex | | Descriptor: | GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | Deposit date: | 2001-10-10 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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2WBU
 | | CRYSTAL STRUCTURE OF THE ZINC FINGER DOMAIN OF KLF4 BOUND TO ITS TARGET DNA | | Descriptor: | 5'-D(*DGP*DAP*DGP*DGP*DCP*DGP*DTP* DGP*DGP*DC)-3', 5'-D(*DGP*DCP*DCP*DAP*DCP*DGP*DCP* DCP*DTP*DC)-3', KRUEPPEL-LIKE FACTOR 4, ... | | Authors: | Schuetz, A, Zocher, G, Carstanjen, D, Heinemann, U. | | Deposit date: | 2009-03-05 | | Release date: | 2010-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation.
Cell.Mol.Life Sci., 68, 2011
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2WBS
 | | Crystal structure of the zinc finger domain of Klf4 bound to its target DNA | | Descriptor: | 5'-D(*GP*AP*GP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP*CP*TP*CP)-3', GLYCEROL, ... | | Authors: | Zocher, G, Schuetz, A, Carstanjen, D, Heinemann, U. | | Deposit date: | 2009-03-03 | | Release date: | 2010-04-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation.
Cell.Mol.Life Sci., 68, 2011
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4NWI
 | | Crystal structure of cytosolic 5'-nucleotidase IIIB (cN-IIIB) bound to cytidine | | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 7-methylguanosine phosphate-specific 5'-nucleotidase, CHLORIDE ION, ... | | Authors: | Monecke, T, Neumann, P, Ficner, R. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structures of the Novel Cytosolic 5'-Nucleotidase IIIB Explain Its Preference for m7GMP
Plos One, 9, 2014
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1K5G
 | | Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex | | Descriptor: | ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | Deposit date: | 2001-10-10 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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4NV0
 | | Crystal structure of cytosolic 5'-nucleotidase IIIB (cN-IIIB) bound to 7-methylguanosine | | Descriptor: | 7-METHYLGUANOSINE, 7-methylguanosine phosphate-specific 5'-nucleotidase, MAGNESIUM ION, ... | | Authors: | Monecke, T, Neumann, P, Ficner, R. | | Deposit date: | 2013-12-04 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structures of the Novel Cytosolic 5'-Nucleotidase IIIB Explain Its Preference for m7GMP
Plos One, 9, 2014
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2XZS
 | | Death associated protein kinase 1 residues 1-312 | | Descriptor: | DEATH ASSOCIATED KINASE 1, MAGNESIUM ION | | Authors: | Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J. | | Deposit date: | 2010-11-29 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites.
Structure, 24, 2016
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4IZY
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4I6Q
 | | JAK3 kinase domain in complex with 2-Phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-cyclopropyl-ethyl)-amide | | Descriptor: | 1-phenylurea, N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 | | Authors: | Kuglstatter, A, Shao, A. | | Deposit date: | 2012-11-30 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5OR6
 | | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | | Descriptor: | (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | | Authors: | Freigang, J. | | Deposit date: | 2017-08-15 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
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2BZ6
 | | Orally available Factor7a inhibitor | | Descriptor: | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Obst-Sander, U, Hilpert, K, Kuehne, H, Banner, D.W, Boehm, H.J, Stahl, M, Ackermann, J, Alig, L, Weber, L, Wessel, H.P, Riederer, M.A, Tschopp, T.B, Lave, T. | | Deposit date: | 2005-08-11 | | Release date: | 2006-02-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Dose-Dependant Antithrombotic Activity of an Orally Active Tissue Factor/Factor Viia Inhibitor without Concomitant Enhancement of Bleeding Propensity.
Bioorg.Med.Chem., 14, 2006
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5OR2
 | | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | | Descriptor: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | | Authors: | Freigang, J. | | Deposit date: | 2017-08-15 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
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3L0N
 | | Human orotidyl-5'-monophosphate decarboxylase in complex with 6-mercapto-UMP | | Descriptor: | 6-sulfanyluridine-5'-phosphate, Uridine 5'-monophosphate synthase | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2009-12-10 | | Release date: | 2010-01-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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2LQL
 | | Solution structure of CHCH5 | | Descriptor: | Coiled-coil-helix-coiled-coil-helix domain-containing protein 5 | | Authors: | Peruzzini, R, Ciofi-Baffoni, S, Banci, L, Bertini, I. | | Deposit date: | 2012-03-09 | | Release date: | 2012-10-24 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of CHCHD5 and CHCHD7: Two atypical human twin CX(9)C proteins.
J.Struct.Biol., 180, 2012
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2MOA
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6GJ5
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ7
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6DXG
 | | amidobenzimidazole (ABZI) STING agonists | | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | | Authors: | Concha, N.O. | | Deposit date: | 2018-06-28 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
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7QEN
 | | S.c. Condensin core in DNA- and ATP-bound state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Condensin complex subunit 1, Condensin complex subunit 2, ... | | Authors: | Lecomte, L, Hassler, M, Haering, C, Eustermann, S. | | Deposit date: | 2021-12-03 | | Release date: | 2022-06-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
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7QFW
 | | S.c. Condensin peripheral Ycg1 subcomplex bound to DNA | | Descriptor: | Condensin complex subunit 2, Condensin complex subunit 3, Synthetic DNA ligand, ... | | Authors: | Lecomte, L, Hassler, M, Haering, C, Eustermann, S. | | Deposit date: | 2021-12-06 | | Release date: | 2022-06-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
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3EWW
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP, covalent adduct | | Descriptor: | 6-[(E)-iminomethyl]uridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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3EWU
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | | Descriptor: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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5C9J
 | | Human CD1c with ligands in A' and F' channel | | Descriptor: | Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ... | | Authors: | Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D. | | Deposit date: | 2015-06-27 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3EWX
 | | K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine-5'-phosphate decarboxylase | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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1GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | Descriptor: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA) | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | Deposit date: | 1999-03-17 | | Release date: | 2000-03-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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