4Y2E
 
 | | Crystal structure of the catalytic domain of human dual-specificity phosphatase 7 (C232S) | | Descriptor: | Dual specificity protein phosphatase 7, PHOSPHATE ION | | Authors: | Lountos, G.T, Austin, B.P, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2015-02-09 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure of human dual-specificity phosphatase 7, a potential cancer drug target.
Acta Crystallogr.,Sect.F, 71, 2015
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4XRM
 | | homodimer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Morgunova, E, Jorma, A, Yin, Y, Nitta, K.R, Dave, K, Enge, M, Kivioja, T, Popov, A, Taipale, J. | | Deposit date: | 2015-01-21 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | DNA-dependent formation of transcription factor pairs alters their binding specificity.
Nature, 527, 2015
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3IHL
 | | Human CTPS2 crystal structure | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CTP synthase 2, PHOSPHATE ION | | Authors: | Moche, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human CTPS2 crystal structure
To be Published
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1BSB
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1U70
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3IRB
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5JHU
 | | Potent, Reversible MetAP2 Inhibitors via FBDD | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Dougan, D.R. | | Deposit date: | 2016-04-21 | | Release date: | 2016-05-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
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3ISB
 | | Binary complex of human DNA polymerase beta with a gapped DNA | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2009-08-25 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
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3IP2
 | | Crystal structure of red fluorescent protein Neptune at pH 7.0 | | Descriptor: | Neptune red fluorescent protein | | Authors: | Lin, M.Z, McKeown, M.R, Ng, H.L, Aguilera, T.A, Shaner, N.C, Ma, W, Adams, S.R, Campbell, R.E, Alber, T, Tsien, R.Y. | | Deposit date: | 2009-08-15 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Autofluorescent proteins with excitation in the optical window for intravital imaging in mammals.
Chem.Biol., 16, 2009
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4XOY
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XY9
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | | Descriptor: | 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4 | | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
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1R4M
 | | APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex | | Descriptor: | Ubiquitin-like protein NEDD8, ZINC ION, amyloid beta precursor protein-binding protein 1, ... | | Authors: | Walden, H, Podgorski, M.S, Holton, J.M, Schulman, B.A. | | Deposit date: | 2003-10-07 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of the APPBP1-UBA3-NEDD8-ATP complex reveals the basis for selective ubiquitin-like protein activation by an E1.
Mol.Cell, 12, 2003
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5ITQ
 | | Crystal Structure of Human NEIL1, Free Protein | | Descriptor: | Endonuclease 8-like 1 | | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
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5ITY
 | | Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing Thymine Glycol | | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
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1R7R
 | | The crystal structure of murine p97/VCP at 3.6A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Huyton, T, Pye, V.E, Briggs, L.C, Flynn, T.C, Beuron, F, Kondo, H, Ma, J, Zhang, X, Freemont, P.S. | | Deposit date: | 2003-10-22 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The crystal structure of murine p97/VCP at 3.6A
J.Struct.Biol., 144, 2003
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4XZZ
 | | Structure of Helicobacter pylori Csd6 in the ligand-free state | | Descriptor: | Conserved hypothetical secreted protein, GLYCEROL | | Authors: | Kim, H.S, Im, H.N, Yoon, H.J, Suh, S.W. | | Deposit date: | 2015-02-05 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The Cell Shape-determining Csd6 Protein from Helicobacter pylori Constitutes a New Family of l,d-Carboxypeptidase
J.Biol.Chem., 290, 2015
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1BPX
 | | DNA POLYMERASE BETA/DNA COMPLEX | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*G)-3'), ... | | Authors: | Sawaya, M.R, Prasad, R, Wilson, S.H, Kraut, J, Pelletier, H. | | Deposit date: | 1997-04-11 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with gapped and nicked DNA: evidence for an induced fit mechanism.
Biochemistry, 36, 1997
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1C3M
 | | CRYSTAL STRUCTURE OF HELTUBA COMPLEXED TO MAN(1-3)MAN | | Descriptor: | AGGLUTININ, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose | | Authors: | Bourne, Y, Zamboni, V, Barre, A, Peumans, W.J, van Damme, E.J.M, Rouge, P. | | Deposit date: | 1999-07-28 | | Release date: | 2000-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Helianthus tuberosus lectin reveals a widespread scaffold for mannose-binding lectins.
Structure Fold.Des., 7, 1999
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5U28
 | | BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523 | | Descriptor: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Andrews, F.H, Kutateladze, T.G. | | Deposit date: | 2016-11-30 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1BRP
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4XV9
 | | B-Raf Kinase domain in complex with PLX5568 | | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | | Authors: | zhang, Y, zhang, c, wang, w. | | Deposit date: | 2015-01-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
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3I9J
 | | Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide | | Descriptor: | ADP-ribosyl cyclase, NICOTINAMIDE, Nicotinamide 2-fluoro-adenine dinucleotide, ... | | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | | Deposit date: | 2009-07-12 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
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3I8C
 | | Crystal Structure of DDB1 in Complex with the H-Box Motif of WDR21A | | Descriptor: | DNA damage-binding protein 1, WD repeat-containing protein 21A | | Authors: | Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. | | Deposit date: | 2009-07-09 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
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5IWZ
 | | Synaptonemal complex protein | | Descriptor: | Synaptonemal complex protein 2 | | Authors: | Feng, J, Fu, S, Cao, X, Wu, H, Lu, J, Zeng, M, Liu, L, Yang, X, Shen, Y. | | Deposit date: | 2016-03-23 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Structure of synaptonemal complexes protein at 2.6 angstroms resolution
To Be Published
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3I9L
 | | Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR | | Descriptor: | ADP-ribosyl cyclase, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | | Deposit date: | 2009-07-12 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
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