3MSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3msv by Molmil](/molmil-images/mine/3msv) | |
5U2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u2m by Molmil](/molmil-images/mine/5u2m) | Crystal structure of human NAMPT with A-1293201 | Descriptor: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | Deposit date: | 2016-11-30 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
|
|
7EVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7evp by Molmil](/molmil-images/mine/7evp) | Cryo-EM structure of the Gp168-beta-clamp complex | Descriptor: | Beta sliding clamp, Sliding clamp inhibitor | Authors: | Liu, B, Li, S, Liu, Y, Chen, H, Hu, Z, Wang, Z, Gou, L, Zhang, L, Ma, B, Wang, H, Matthews, S, Wang, Y, Zhang, K. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Bacteriophage Twort protein Gp168 is a beta-clamp inhibitor by occupying the DNA sliding channel. Nucleic Acids Res., 49, 2021
|
|
3MHK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mhk by Molmil](/molmil-images/mine/3mhk) | Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol | Descriptor: | 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, Tankyrase-2, ... | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
|
|
3MOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3moe by Molmil](/molmil-images/mine/3moe) | |
5U2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u2n by Molmil](/molmil-images/mine/5u2n) | Crystal structure of human NAMPT with A-1326133 | Descriptor: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | Deposit date: | 2016-11-30 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
|
|
5XYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xyl by Molmil](/molmil-images/mine/5xyl) | |
3M1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m1s by Molmil](/molmil-images/mine/3m1s) | Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium pyridocarbazole | Authors: | Atilla-Gokcumen, G.E, Di Costanzo, L, Zimmermann, G, Meggers, E. | Deposit date: | 2010-03-05 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.134 Å) | Cite: | Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta J.Biol.Inorg.Chem., 16, 2011
|
|
1RDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rdq by Molmil](/molmil-images/mine/1rdq) | Hydrolysis of ATP in the crystal of Y204A mutant of cAMP-dependent protein kinase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Yang, J, Ten Eyck, L.F, Xuong, N.H, Taylor, S.S. | Deposit date: | 2003-11-05 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal Structure of a cAMP-dependent Protein Kinase Mutant at 1.26A: New Insights into the Catalytic Mechanism. J.Mol.Biol., 336, 2004
|
|
6BNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bny by Molmil](/molmil-images/mine/6bny) | TBK1 in complex with tetrazole analog of amlexanox | Descriptor: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.341 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
|
|
5U5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u5s by Molmil](/molmil-images/mine/5u5s) | |
5WI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wi1 by Molmil](/molmil-images/mine/5wi1) | |
3MS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ms6 by Molmil](/molmil-images/mine/3ms6) | Crystal structure of Hepatitis B X-Interacting Protein (HBXIP) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Hepatitis B virus X-interacting protein, ... | Authors: | Garcia-Saez, I, Skoufias, D. | Deposit date: | 2010-04-29 | Release date: | 2010-11-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.085 Å) | Cite: | Structural Characterization of HBXIP: The Protein That Interacts with the Anti-Apoptotic Protein Survivin and the Oncogenic Viral Protein HBx. J.Mol.Biol., 405, 2011
|
|
5V9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v9g by Molmil](/molmil-images/mine/5v9g) | |
6ZU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zu8 by Molmil](/molmil-images/mine/6zu8) | Crystal structure of human Brachyury G177D variant in complex with Afatinib | Descriptor: | Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION | Authors: | Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-07-21 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of human Brachyury G177D variant in complex with Afatinib To Be Published
|
|
3O8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o8i by Molmil](/molmil-images/mine/3o8i) | Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment | Descriptor: | 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one | Authors: | Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P. | Deposit date: | 2010-08-03 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling Mol.Cell.Biol., 30, 2010
|
|
5WC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wc2 by Molmil](/molmil-images/mine/5wc2) | 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
|
|
4B56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b56 by Molmil](/molmil-images/mine/4b56) | Structure of ectonucleotide pyrophosphatase-phosphodiesterase-1 (NPP1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jansen, S, Perrakis, A, Ulens, C, Winkler, C, Andries, M, Joosten, R.P, Van Acker, M, Luyten, F.P, Moolenaar, W.H, Bollen, M. | Deposit date: | 2012-08-02 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Npp1, an Ectonucleotide Pyrophosphatase/Phosphodiesterase Involved in Tissue Calcification. Structure, 20, 2012
|
|
3MOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mof by Molmil](/molmil-images/mine/3mof) | |
5WCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wcf by Molmil](/molmil-images/mine/5wcf) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441 to be published
|
|
6AZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6azj by Molmil](/molmil-images/mine/6azj) | Crystal Structure of human NAMPT in complex with NVP-LQN520 | Descriptor: | (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-09-11 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
|
|
3MOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3moh by Molmil](/molmil-images/mine/3moh) | |
5ZJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zjt by Molmil](/molmil-images/mine/5zjt) | Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*AP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*TP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ... | Authors: | Zeiske, T, Baburajendran, N, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G. | Deposit date: | 2018-03-22 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites. Cell Rep, 24, 2018
|
|
5ZJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zjs by Molmil](/molmil-images/mine/5zjs) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zg9 by Molmil](/molmil-images/mine/5zg9) | 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
|
|