7R26
 
 | | PI3K delta in complex with SD5 | | Descriptor: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2022-02-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7R2B
 | | PI3Kdelta in complex with an inhibitor | | Descriptor: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2022-02-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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6NTD
 | | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | | Deposit date: | 2019-01-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
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6NTC
 | | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | | Deposit date: | 2019-01-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
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2N8A
 | | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | | Descriptor: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | | Deposit date: | 2015-10-08 | | Release date: | 2015-12-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
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2L31
 | | Human PARP-1 zinc finger 2 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | | Deposit date: | 2010-08-30 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
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2L30
 | | Human PARP-1 zinc finger 1 | | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | | Deposit date: | 2010-08-30 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger.
J.Mol.Biol., 407, 2011
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8CPO
 | | Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A | | Descriptor: | PolB16 Intein Cys-less | | Authors: | Kattelmann, S, Pasch, T, Mootz, H.D, Kuemmel, D. | | Deposit date: | 2023-03-03 | | Release date: | 2023-05-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
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8CPN
 | | Crystal structure of the PolB16_OarG intein variant S1A, N183A | | Descriptor: | IODIDE ION, PolB16 intein | | Authors: | Kattelmann, S, Pasch, T, Mootz, H.D, Kummel, D. | | Deposit date: | 2023-03-03 | | Release date: | 2023-05-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
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4BPG
 | | Crystal structure of Bacillus subtilis DltC | | Descriptor: | D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2 | | Authors: | Yonus, H, Zimmermann, S, Neumann, P, Stubbs, M.T. | | Deposit date: | 2013-05-26 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
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5O83
 | | Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | | Descriptor: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors.
ACS Med Chem Lett, 8, 2017
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1MLY
 | | Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the cis isomer of amiclenomycin | | Descriptor: | 7,8-diamino-pelargonic acid aminotransferase, CIS-AMICLENOMYCIN, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Sandmark, J, Mann, S, Marquet, A, Schneider, G. | | Deposit date: | 2002-09-02 | | Release date: | 2002-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin
J.Biol.Chem., 277, 2002
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1MLZ
 | | Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the trans-isomer of amiclenomycin. | | Descriptor: | 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Sandmark, J, Mann, S, Marquet, A, Schneider, G. | | Deposit date: | 2002-09-02 | | Release date: | 2002-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin
J.Biol.Chem., 277, 2002
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8RYS
 | | Human IL-1beta, unliganded | | Descriptor: | Interleukin-1 beta, SULFATE ION | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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6E88
 | | Cryo-EM structure of C. elegans GDP-microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-2 chain, ... | | Authors: | Chaaban, S, Jariwala, S, Chieh-Ting, H, Redemann, S, Kollman, J, Muller-Reichert, T, Sept, D, Bui, K.H, Brouhard, G.J. | | Deposit date: | 2018-07-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | The Structure and Dynamics of C. elegans Tubulin Reveals the Mechanistic Basis of Microtubule Growth.
Dev. Cell, 47, 2018
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4V94
 | | Molecular architecture of the eukaryotic chaperonin TRiC/CCT derived by a combination of chemical crosslinking and mass-spectrometry, XL-MS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Leitner, A, Joachimiak, L.A, Bracher, A, Walzthoeni, T, Chen, B, Monkemeyer, L, Pechmann, S, Holmes, S, Cong, Y, Ma, B, Ludtke, S, Chiu, W, Hartl, F.U, Aebersold, R, Frydman, J. | | Deposit date: | 2012-01-11 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The Molecular Architecture of the Eukaryotic Chaperonin TRiC/CCT.
Structure, 20, 2012
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1QRQ
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4IRN
 | | Crystal Structure of the Prolyl Acyl Carrier Protein Oxidase AnaB | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Prolyl-ACP dehydrogenase | | Authors: | Moncoq, K, Mann, S, Regad, L, Mejean, A, Ploux, O. | | Deposit date: | 2013-01-15 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the prolyl-acyl carrier protein oxidase involved in the biosynthesis of the cyanotoxin anatoxin-a.
Acta Crystallogr.,Sect.D, 69, 2013
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1EXB
 | | STRUCTURE OF THE CYTOPLASMIC BETA SUBUNIT-T1 ASSEMBLY OF VOLTAGE-DEPENDENT K CHANNELS | | Descriptor: | KV BETA2 PROTEIN, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM CHANNEL KV1.1 | | Authors: | Gulbis, J.M, Zhou, M, Mann, S, MacKinnon, R. | | Deposit date: | 2000-05-02 | | Release date: | 2000-07-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the cytoplasmic beta subunit-T1 assembly of voltage-dependent K+ channels.
Science, 289, 2000
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1UWF
 | | 1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli | | Descriptor: | FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside | | Authors: | Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H. | | Deposit date: | 2004-02-05 | | Release date: | 2005-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin.
Mol.Microbiol., 55, 2005
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5W3F
 | | Yeast tubulin polymerized with GTP in vitro | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Howes, S.C, Geyer, E.A, LaFrance, B, Zhang, R, Kellogg, E.H, Westermann, S, Rice, L.M, Nogales, E. | | Deposit date: | 2017-06-07 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural differences between yeast and mammalian microtubules revealed by cryo-EM.
J. Cell Biol., 216, 2017
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5W3H
 | | Yeast microtubule stabilized with epothilone | | Descriptor: | EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Howes, S.C, Geyer, E.A, LaFrance, B, Zhang, R, Kellogg, E.H, Westermann, S, Rice, L.M, Nogales, E. | | Deposit date: | 2017-06-07 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural differences between yeast and mammalian microtubules revealed by cryo-EM.
J. Cell Biol., 216, 2017
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5W3J
 | | Yeast microtubule stabilized with Taxol assembled from mutated tubulin | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Howes, S.C, Geyer, E.A, LaFrance, B, Zhang, R, Kellogg, E.H, Westermann, S, Rice, L.M, Nogales, E. | | Deposit date: | 2017-06-07 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural differences between yeast and mammalian microtubules revealed by cryo-EM.
J. Cell Biol., 216, 2017
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4WB3
 | | Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin | | Descriptor: | ACETATE ION, CALCIUM ION, Complement C5, ... | | Authors: | Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R. | | Deposit date: | 2014-09-02 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
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7RGF
 | | Protocadherin gammaC4 EC1-4 crystal structure disrupted trans interface | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition.
Elife, 11, 2022
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