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5W7X
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BU of 5w7x by Molmil
Crystal Structure of FHA domain of human APLF in complex with XRCC1 bisphospho peptide
Descriptor: Aprataxin and PNK-like factor, DNA repair protein XRCC1
Authors:Pedersen, L.C, Kim, K, London, R.E.
Deposit date:2017-06-21
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Characterization of the APLF FHA-XRCC1 phosphopeptide interaction and its structural and functional implications.
Nucleic Acids Res., 45, 2017
5WTB
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BU of 5wtb by Molmil
Complex Structure of Staphylococcus aureus SdrE with human complement factor H
Descriptor: Peptide from Complement factor H, Serine-aspartate repeat-containing protein E
Authors:Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X.
Deposit date:2016-12-10
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
6DRG
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BU of 6drg by Molmil
NMR solution structure of wild type hFABP1 with GW7647
Descriptor: 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-11
Release date:2018-12-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
5WHA
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BU of 5wha by Molmil
KRas G12V, bound to GDP and miniprotein 225-11
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L.
Deposit date:2017-07-16
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
5WHC
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BU of 5whc by Molmil
USP7 in complex with Cpd2 (4-(3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl)phenol)
Descriptor: 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Murray, J.M, Rouge, L.
Deposit date:2017-07-16
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
J. Med. Chem., 60, 2017
6DA3
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BU of 6da3 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
5WJ3
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BU of 5wj3 by Molmil
Crystal structure of green fluorescent protein Clover mutant S147C/Q204C
Descriptor: Green fluorescent protein
Authors:Liu, C, Campbell, B.C, Petsko, G.A.
Deposit date:2017-07-21
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Crystal Structure of Green Fluorescent Protein Clover and Design of Clover-Based Redox Sensors.
Structure, 26, 2018
2P82
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BU of 2p82 by Molmil
Cysteine protease ATG4A
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cysteine protease ATG4A
Authors:Walker, J.R, Davis, T, Mujib, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-03-21
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human cysteine protease ATG4A
To be Published
5XS2
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BU of 5xs2 by Molmil
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Zhou, Z, Xu, Z.
Deposit date:2017-06-12
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
6ASB
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BU of 6asb by Molmil
CXXC and PHD-type zinc finger regions of FBXL19 in complex with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), F-box/LRR-repeat protein 19, ZINC ION
Authors:Liu, K, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-24
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
6ANJ
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BU of 6anj by Molmil
Synaptotagmin-7, C2A domain
Descriptor: ACETATE ION, CALCIUM ION, Synaptotagmin-7, ...
Authors:Tomchick, D.R, Rizo, J, Voleti, R.
Deposit date:2017-08-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Exceptionally tight membrane-binding may explain the key role of the synaptotagmin-7 C2A domain in asynchronous neurotransmitter release.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5B7V
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BU of 5b7v by Molmil
Human FGFR1 kinase in complex with CH5183284
Descriptor: Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
Authors:Fukami, T.A, Lukacs, C.M, Janson, C.
Deposit date:2016-06-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014
5X3Y
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BU of 5x3y by Molmil
Refined solution structure of musashi1 RBD2
Descriptor: RNA-binding protein Musashi homolog 1
Authors:Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M.
Deposit date:2017-02-09
Release date:2017-12-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
5X67
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BU of 5x67 by Molmil
Human thymidylate synthase in complex with dUMP and nolatrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states.
J. Biol. Chem., 292, 2017
5XCO
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BU of 5xco by Molmil
Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2017-03-23
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d
ACS Med Chem Lett, 8, 2017
6AXF
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BU of 6axf by Molmil
Structure of RasGRP2 in complex with Rap1B
Descriptor: RAS guanyl-releasing protein 2, Ras-related protein Rap-1b
Authors:Kondo, Y, Iwig, J.S, Kuriyan, J.
Deposit date:2017-09-06
Release date:2017-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A histidine pH sensor regulates activation of the Ras-specific guanine nucleotide exchange factor RasGRP1.
Elife, 6, 2017
6AP0
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BU of 6ap0 by Molmil
Crystal structure of human FLASH N-terminal domain C54S/C83A (Crystal form 2)
Descriptor: CASP8-associated protein 2
Authors:Aik, W.S, Tong, L.
Deposit date:2017-08-16
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.581 Å)
Cite:The N-terminal domains of FLASH and Lsm11 form a 2:1 heterotrimer for histone pre-mRNA 3'-end processing.
PLoS ONE, 12, 2017
6DO6
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BU of 6do6 by Molmil
NMR solution structure of wild type apo hFABP1 at 308 K
Descriptor: Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-09
Release date:2018-12-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
4H9N
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BU of 4h9n by Molmil
Complex structure 1 of DAXX/H3.3(sub5)/H4
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
Deposit date:2012-09-24
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
5B16
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BU of 5b16 by Molmil
X-ray structure of DROSHA in complex with the C-terminal tail of DGCR8.
Descriptor: Microprocessor complex subunit DGCR8, Ribonuclease 3,DROSHA,Ribonuclease 3,DROSHA,Ribonuclease 3, ZINC ION
Authors:Kwon, S.C, Nguyen, T.A, Choi, Y.G, Jo, M.H, Hohng, S, Kim, V.N, Woo, J.S.
Deposit date:2015-11-23
Release date:2016-02-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Human DROSHA
Cell, 164, 2016
5BSA
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BU of 5bsa by Molmil
Structure of histone H3/H4 in complex with Spt2
Descriptor: Histone H3.2, Histone H4, Protein SPT2 homolog
Authors:Chen, S, Patel, D.J.
Deposit date:2015-06-01
Release date:2015-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (4.611 Å)
Cite:Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.
Genes Dev., 29, 2015
6A9C
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BU of 6a9c by Molmil
Crystal Structure c-terminal SH3 domain of Myosin IB from Entamoeba histolytica bound to EhFP10(GEF) peptide.
Descriptor: Peptide from Rho guanine nucleotide exchange factor, SULFATE ION, Unconventional myosin IB
Authors:Gautam, G, Gourinath, S.
Deposit date:2018-07-13
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:EhFP10: A FYVE family GEF interacts with myosin IB to regulate cytoskeletal dynamics during endocytosis in Entamoeba histolytica.
Plos Pathog., 15, 2019
4H7X
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BU of 4h7x by Molmil
Crystal structure of the tetratricopeptide repeat (TPR) motif of human dual specificity protein kinase Mps1
Descriptor: Dual specificity protein kinase TTK, LEAD (II) ION
Authors:Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2012-09-21
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into the role of the N-terminal Mps1 TPR domain in the SAC (spindle assembly checkpoint).
Biochem.J., 448, 2012
6DA2
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BU of 6da2 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
4N40
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BU of 4n40 by Molmil
Crystal structure of human Epithelial cell-transforming sequence 2 protein
Descriptor: Protein ECT2
Authors:Zou, Y, Shao, Z.H, Li, F.D, Gong, D, Wang, C, Gong, Q, Shi, Y.
Deposit date:2013-10-08
Release date:2014-08-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Crystal structure of triple-BRCT-domain of ECT2 and insights into the binding characteristics to CYK-4
Febs Lett., 588, 2014

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数据于2024-07-17公开中

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