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3FMJ
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BU of 3fmj by Molmil
P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine
Descriptor: 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FEX
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BU of 3fex by Molmil
Crystal structure of the CBC-importin alpha complex.
Descriptor: Importin subunit alpha-2, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2
Authors:Dias, S.M.G, Ambrosio, A.L.B, Cerione, R.A.
Deposit date:2008-12-01
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:The molecular basis for the regulation of the cap-binding complex by the importins.
Nat.Struct.Mol.Biol., 16, 2009
4QL0
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BU of 4ql0 by Molmil
Crystal Structure Analysis of the Membrane Transporter FhaC (double mutant V169T, I176N)
Descriptor: DI(HYDROXYETHYL)ETHER, Filamentous hemagglutinin transporter protein FhaC, HEXAETHYLENE GLYCOL, ...
Authors:Maier, T, Clantin, B, Gruss, F, Dewitte, F, Delattre, A.S, Jacob-Dubuisson, F, Hiller, S, Villeret, V.
Deposit date:2014-06-10
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conserved Omp85 lid-lock structure and substrate recognition in FhaC
Nat Commun, 6, 2015
3FL4
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BU of 3fl4 by Molmil
P38 kinase crystal structure in complex with RO5634
Descriptor: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-18
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FML
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BU of 3fml by Molmil
P38 kinase crystal structure in complex with RO6224
Descriptor: 6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:P38 kinase crystal structure in complex with RO6224
To be Published
4TN9
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BU of 4tn9 by Molmil
Crystal structure of Clostridium histolyticum ColG collagenase polycystic kidney disease-like domain at 1.4 Angstrom resolution
Descriptor: Collagenase
Authors:Bauer, R, Sakon, J, Philominathan, S.T.L, Matsushita, O, Gann, S.
Deposit date:2014-06-03
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
4MT9
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BU of 4mt9 by Molmil
Co-crystal structure of tankyrase 1 with compound 49
Descriptor: N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-19
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4N4V
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BU of 4n4v by Molmil
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
2WOG
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BU of 2wog by Molmil
Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Hackney, D.D, Kozielski, F.
Deposit date:2009-07-23
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:An Allosteric Transition Trapped in an Intermediate State of a New Kinesin-Inhibitor Complex.
Biochem.J., 425, 2010
3FSF
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BU of 3fsf by Molmil
P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Descriptor: 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Bertrand, J, Lovejoy, B.
Deposit date:2009-01-09
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
5XIU
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BU of 5xiu by Molmil
Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
3FQD
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BU of 3fqd by Molmil
Crystal Structure of the S. pombe Rat1-Rai1 Complex
Descriptor: 5'-3' exoribonuclease 2, GLYCEROL, MAGNESIUM ION, ...
Authors:Xiang, S, Tong, L.
Deposit date:2009-01-07
Release date:2009-02-03
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
4MPA
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BU of 4mpa by Molmil
Crystal structure of NHERF1-CXCR2 signaling complex in P21 space group
Descriptor: ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1, ...
Authors:Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2013-09-12
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.097 Å)
Cite:New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
7VPX
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BU of 7vpx by Molmil
The cryo-EM structure of the human pre-A complex
Descriptor: 5SS, DnaJ homolog subfamily C member 8, PHD finger-like domain-containing protein 5A, ...
Authors:Zhang, X, Zhan, X, Shi, Y.
Deposit date:2021-10-18
Release date:2023-05-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into branch site proofreading by human spliceosome.
Nat.Struct.Mol.Biol., 2024
3FSK
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BU of 3fsk by Molmil
P38 kinase crystal structure in complex with RO6257
Descriptor: 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A.
Deposit date:2009-01-09
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
4TK5
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BU of 4tk5 by Molmil
Crystal Structure of human Tankyrase 2 in complex with EB47.
Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
5XWZ
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BU of 5xwz by Molmil
Crystal structure of a lactonase from Cladophialophora bantiana
Descriptor: GLYCEROL, MALONATE ION, SODIUM ION, ...
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-06-30
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
6T1P
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BU of 6t1p by Molmil
ASR Alternansucrase in complex with isomaltononaose
Descriptor: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
Authors:Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
Deposit date:2019-10-04
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
5HKP
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BU of 5hkp by Molmil
Crystal structure of mouse Tankyrase/human TRF1 complex
Descriptor: Tankyrase-1, Telomeric repeat-binding factor 1
Authors:Wang, Z, Li, B, Rao, Z, Xu, W.
Deposit date:2016-01-14
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
2WGU
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BU of 2wgu by Molmil
Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N- methoxycarbonyl -3,5-dideoxy- D-glycero-a-D-galacto-2-nonulopyranosylonic acid
Descriptor: 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION
Authors:Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M.
Deposit date:2009-04-27
Release date:2009-11-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
2WH6
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BU of 2wh6 by Molmil
Crystal structure of anti-apoptotic BHRF1 in complex with the Bim BH3 domain
Descriptor: BCL-2-LIKE PROTEIN 11, BROMIDE ION, EARLY ANTIGEN PROTEIN R, ...
Authors:Kvansakul, M, Huang, D.C.S, Colman, P.M.
Deposit date:2009-05-01
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for apoptosis inhibition by Epstein-Barr virus BHRF1.
PLoS Pathog., 6, 2010
4OA7
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BU of 4oa7 by Molmil
Crystal structure of Tankyrase1 in complex with IWR1
Descriptor: 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Zhang, X, He, H.
Deposit date:2014-01-03
Release date:2015-01-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
5C3I
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BU of 5c3i by Molmil
Crystal structure of the quaternary complex of histone H3-H4 heterodimer with chaperone ASF1 and the replicative helicase subunit MCM2
Descriptor: DNA replication licensing factor MCM2,MCM2, Histone H3.1, Histone H4, ...
Authors:Wang, H, Wang, M, Yang, N, Xu, R.M.
Deposit date:2015-06-17
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the quaternary complex of histone H3-H4 heterodimer with chaperone ASF1 and the replicative helicase subunit MCM2
Protein Cell, 6, 2015
4LOP
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BU of 4lop by Molmil
Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form)
Descriptor: 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, L(+)-TARTARIC ACID, ...
Authors:Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-07-13
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1.
Nat.Struct.Mol.Biol., 20, 2013
5WY0
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BU of 5wy0 by Molmil
Crystal structure of the methyltranferase domain of human HEN1 in complex with AdoMet
Descriptor: S-ADENOSYLMETHIONINE, Small RNA 2'-O-methyltransferase
Authors:Peng, L, Ma, J.B, Wu, L.G, Huang, Y.
Deposit date:2017-01-10
Release date:2018-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substrates of the small RNA methyltransferase Hen1 in mouse spermatogonial stem cells and analysis of its methyl-transfer domain
J. Biol. Chem., 293, 2018

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