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5WI0
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BU of 5wi0 by Molmil
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
Descriptor: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
2YSI
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BU of 2ysi by Molmil
Solution structure of the first WW domain from the mouse transcription elongation regulator 1, transcription factor CA150
Descriptor: Transcription elongation regulator 1
Authors:Ohnishi, S, Li, H, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first WW domain from the mouse transcription elongation regulator 1, transcription factor CA150
To be Published
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
1XKU
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BU of 1xku by Molmil
Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin
Authors:Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J.
Deposit date:2004-09-29
Release date:2004-11-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
5UY9
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BU of 5uy9 by Molmil
Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Dong, S.-H, Nair, S.
Deposit date:2017-02-23
Release date:2017-04-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4.
Oncogene, 36, 2017
5V9F
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BU of 5v9f by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with beta sulfopyruvate and GTP.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
2YB8
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BU of 2yb8 by Molmil
Crystal structure of Nurf55 in complex with Su(z)12
Descriptor: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
Authors:Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
2VUI
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BU of 2vui by Molmil
Crystal structure of the HupR receiver domain in inhibitory phospho- state
Descriptor: BERYLLIUM TRIFLUORIDE ION, HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1, MAGNESIUM ION
Authors:Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N.
Deposit date:2008-05-26
Release date:2008-11-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
5UQ2
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BU of 5uq2 by Molmil
Crystal structure of human Cdk2-Spy1 complex
Descriptor: Cyclin-dependent kinase 2, Speedy protein A
Authors:McGrath, D.A, Tripathi, S.M, Rubin, S.M.
Deposit date:2017-02-06
Release date:2017-07-05
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of divergent cyclin-dependent kinase activation by Spy1/RINGO proteins.
EMBO J., 36, 2017
1YTO
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BU of 1yto by Molmil
Crystal Structure of Gly19 deletion Mutant of Human Acidic Fibroblast Growth Factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Lee, J, Blaber, M.
Deposit date:2005-02-10
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conversion of type I 4:6 to 3:5 beta-turn types in human acidic fibroblast growth factor: Effects upon structure, stability, folding, and mitogenic function.
Proteins, 62, 2006
1YSO
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BU of 1yso by Molmil
YEAST CU, ZN SUPEROXIDE DISMUTASE WITH THE REDUCED BRIDGE BROKEN
Descriptor: COPPER (I) ION, YEAST CU, ZN SUPEROXIDE DISMUTASE, ...
Authors:Parge, H.E, Crane, B.R, Tsang, J, Tainer, J.A.
Deposit date:1995-12-21
Release date:1996-06-10
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase.
Biochemistry, 35, 1996
6ANU
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BU of 6anu by Molmil
Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain
Descriptor: Actin, cytoplasmic 1, Spectrin beta chain, ...
Authors:Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H.
Deposit date:2017-08-14
Release date:2017-11-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
5ZJQ
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BU of 5zjq by Molmil
Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
Authors:Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
Deposit date:2018-03-22
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.443 Å)
Cite:Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V97
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BU of 5v97 by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with GTP.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
2PHI
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BU of 2phi by Molmil
A LARGE CONFORMATIONAL CHANGE IS FOUND IN THE CRYSTAL STRUCTURE OF THE PORCINE PANCREATIC PHOSPHOLIPASE A2 POINT MUTANT F63V
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J.
Deposit date:1993-04-08
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a porcine pancreatic phospholipase A2 mutant. A large conformational change caused by the F63V point mutation.
J.Mol.Biol., 232, 1993
5VNY
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BU of 5vny by Molmil
Crystal structure of DM14-3 domain of Lgd
Descriptor: Lethal (2) giant discs 1, isoform B
Authors:McMillan, B.J, Blacklow, S.C.
Deposit date:2017-05-01
Release date:2017-06-14
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structural Basis for Regulation of ESCRT-III Complexes by Lgd.
Cell Rep, 19, 2017
2ZME
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BU of 2zme by Molmil
Integrated structural and functional model of the human ESCRT-II complex
Descriptor: Vacuolar protein-sorting-associated protein 25, Vacuolar protein-sorting-associated protein 36, Vacuolar-sorting protein SNF8
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2008-04-17
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Integrated structural model and membrane targeting mechanism of the human ESCRT-II complex
Dev.Cell, 14, 2008
5WI1
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BU of 5wi1 by Molmil
Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
Descriptor: (3E)-3-[(phenylamino)methylidene]oxan-2-one, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
6DAT
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BU of 6dat by Molmil
ETS1 in complex with synthetic SRR mimic
Descriptor: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
Authors:Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
Deposit date:2018-05-02
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35002637 Å)
Cite:The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
5WC2
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BU of 5wc2 by Molmil
Crystal Structure of ADP-bound human TRIP13
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog
Authors:Jeong, B.-C, Luo, X.
Deposit date:2017-06-29
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing.
Nat Commun, 8, 2017
5ZJS
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BU of 5zjs by Molmil
Structure of AbdB/Exd complex bound to a 'Blue14' DNA sequence
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
Authors:Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
Deposit date:2018-03-22
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZG9
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BU of 5zg9 by Molmil
Crystal structure of MoSub1-ssDNA complex in phosphate buffer
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION
Authors:Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J.
Deposit date:2018-03-08
Release date:2019-03-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
5VPC
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BU of 5vpc by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-II crystal
Descriptor: CHLORIDE ION, Protein fosB, SODIUM ION, ...
Authors:Yin, Z, Machius, M.C, Rudenko, G.
Deposit date:2017-05-04
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
1XO2
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BU of 1xo2 by Molmil
Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin
Descriptor: 3,7,3',4'-TETRAHYDROXYFLAVONE, Cell division protein kinase 6, Cyclin
Authors:Lu, H.S, Chang, D.J, Baratte, B, Meijer, L, Schulze-Gahmen, U.
Deposit date:2004-10-05
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin.
J.Med.Chem., 48, 2005

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