3L3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l3m by Molmil](/molmil-images/mine/3l3m) | PARP complexed with A927929 | Descriptor: | 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Park, C.H. | Deposit date: | 2009-12-17 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. J.Med.Chem., 53, 2010
|
|
5GG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gg8 by Molmil](/molmil-images/mine/5gg8) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP, 8-oxo-dGMP and pyrophosphate (II) | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ... | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | Deposit date: | 2016-06-15 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
|
|
5GVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gvn by Molmil](/molmil-images/mine/5gvn) | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
|
|
5GG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gg9 by Molmil](/molmil-images/mine/5gg9) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GTP, 8-oxo-GMP and pyrophosphate | Descriptor: | 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, Hydrolase, NUDIX family protein, ... | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | Deposit date: | 2016-06-15 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
|
|
5GGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gge by Molmil](/molmil-images/mine/5gge) | Fatty Acid-Binding Protein in Brain Tissue of Drosophila melanogaster | Descriptor: | CITRIC ACID, Fatty acid bindin protein, isoform B | Authors: | Cheng, Y.-Y, Huang, Y.-F, Lin, H.-H, Chang, W.W, Lyu, P.-C. | Deposit date: | 2016-06-15 | Release date: | 2017-06-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | The ligand-mediated affinity of brain-type fatty acid-binding protein for membranes determines the directionality of lipophilic cargo transport. Biochim Biophys Acta Mol Cell Biol Lipids, 1864, 2019
|
|
6XSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xsz by Molmil](/molmil-images/mine/6xsz) | |
5GW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gw7 by Molmil](/molmil-images/mine/5gw7) | |
3L4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l4h by Molmil](/molmil-images/mine/3l4h) | Helical box domain and second WW domain of the human E3 ubiquitin-protein ligase HECW1 | Descriptor: | ACETIC ACID, E3 ubiquitin-protein ligase HECW1 | Authors: | Walker, J.R, Qiu, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-20 | Release date: | 2010-05-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The tandem helical box and second WW domains of human HECW1 To be Published
|
|
5GGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ggi by Molmil](/molmil-images/mine/5ggi) | Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Mn, UDP and Mannosyl-peptide | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1, ... | Authors: | Kuwabara, N, Senda, T, Kato, R. | Deposit date: | 2016-06-16 | Release date: | 2016-08-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5GWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gwr by Molmil](/molmil-images/mine/5gwr) | 4-hydroxyisoleucine dehydrogenase complexed with NADH | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2016-09-13 | Release date: | 2017-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers Sci Rep, 7, 2017
|
|
3L4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l4j by Molmil](/molmil-images/mine/3l4j) | Topoisomerase II-DNA cleavage complex, apo | Descriptor: | 3'-THIO-THYMIDINE-5'-PHOSPHATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), ... | Authors: | Schmidt, B.H, Burgin, A.B, Deweese, J.E, Osheroff, N, Berger, J.M. | Deposit date: | 2009-12-20 | Release date: | 2010-05-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases. Nature, 465, 2010
|
|
5GGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ggr by Molmil](/molmil-images/mine/5ggr) | PD-1 in complex with nivolumab Fab | Descriptor: | Programmed cell death protein 1, heavy chain, light chain | Authors: | Heo, Y.S. | Deposit date: | 2016-06-16 | Release date: | 2016-11-09 | Last modified: | 2016-11-16 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy Nat Commun, 7, 2016
|
|
3KYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kyz by Molmil](/molmil-images/mine/3kyz) | The crystal structure of the sensor domain of two-component sensor PfeS from Pseudomonas aeruginosa PA01 | Descriptor: | CHLORIDE ION, FORMIC ACID, Sensor protein pfeS | Authors: | Tan, K, Marshall, N, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-12-07 | Release date: | 2010-01-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | The crystal structure of the sensor domain of two-component sensor PfeS from Pseudomonas aeruginosa PA01 To be Published
|
|
5GX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gx1 by Molmil](/molmil-images/mine/5gx1) | Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 1.1 MGy (1st measurement) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ... | Authors: | Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M. | Deposit date: | 2016-09-15 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography J Synchrotron Radiat, 24, 2017
|
|
5GHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ghc by Molmil](/molmil-images/mine/5ghc) | |
3KZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kzb by Molmil](/molmil-images/mine/3kzb) | |
5GHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ghx by Molmil](/molmil-images/mine/5ghx) | Crystal structure of beta-lactamase PenP mutant-E166H | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Beta-lactamase | Authors: | Pan, X, Zhao, Y. | Deposit date: | 2016-06-21 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis J. Biol. Chem., 292, 2017
|
|
5GX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gx9 by Molmil](/molmil-images/mine/5gx9) | PYP mutant - E46Q | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Yonezawa, K. | Deposit date: | 2016-09-16 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | NEUTRON DIFFRACTION (1.493 Å) | Cite: | Neutron crystallography of photoactive yellow protein reveals unusual protonation state of Arg52 in the crystal Sci Rep, 7, 2017
|
|
3KKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kko by Molmil](/molmil-images/mine/3kko) | Crystal structure of M-Ras P40D/D41E/L51R in complex with GppNHp | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras, ... | Authors: | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | Deposit date: | 2009-11-06 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
|
|
5GIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gij by Molmil](/molmil-images/mine/5gij) | Crystal structure of TDR-TDIF complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat receptor-like protein kinase TDR, ... | Authors: | Morita, J, Kato, K, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2016-06-23 | Release date: | 2016-08-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the plant receptor-like kinase TDR in complex with the TDIF peptide Nat Commun, 7, 2016
|
|
3KZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kzy by Molmil](/molmil-images/mine/3kzy) | Crystal structure of SNAP-tag | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, ZINC ION | Authors: | Bannwarth, M, Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K. | Deposit date: | 2009-12-09 | Release date: | 2010-12-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | SNAP-tag structure To be Published
|
|
5GXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gxo by Molmil](/molmil-images/mine/5gxo) | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase. Free Radic. Biol. Med., 112, 2017
|
|
4W2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w2f by Molmil](/molmil-images/mine/4w2f) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | Authors: | Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. | Deposit date: | 2014-09-12 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome. Mol.Cell, 56, 2014
|
|
5GJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gj3 by Molmil](/molmil-images/mine/5gj3) | Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in two-heme bound form (holo-2) | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Periplasmic binding protein, ZINC ION | Authors: | Rahman, M.M, Naoe, Y, Nakamura, N, Shiro, Y, Sugimoto, H. | Deposit date: | 2016-06-26 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems. Proteins, 85, 2017
|
|
3KLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3klo by Molmil](/molmil-images/mine/3klo) | Vibrio cholerae VpsT bound to c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Transcriptional regulator VpsT | Authors: | Krasteva, P.V, Navarro, V.A.S, Sondermann, H. | Deposit date: | 2009-11-08 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Vibrio cholerae VpsT Regulates Matrix Production and Motility by Directly Sensing Cyclic di-GMP. Science, 327, 2010
|
|