4KGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kgv by Molmil](/molmil-images/mine/4kgv) | The R state structure of E. coli ATCase with ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, ... | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | Deposit date: | 2013-04-29 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 52, 2013
|
|
3Q9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q9i by Molmil](/molmil-images/mine/3q9i) | LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold, bromide derivative | Descriptor: | CHLORIDE ION, Cyclic pseudo-peptide LV(4BF)FA(ORN)(HAO)LK(ORN), GLYCEROL, ... | Authors: | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | Deposit date: | 2011-01-07 | Release date: | 2011-06-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics. J.Am.Chem.Soc., 133, 2011
|
|
4KK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kk2 by Molmil](/molmil-images/mine/4kk2) | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure | Descriptor: | Monoterpene synthase FDS-5, chloroplastic - Farnesyl diphosphate synthase 1 chimera | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-05-05 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformis (1-72:GI751454468,73-346:GI75233326), apo structure To be Published
|
|
2P1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p1e by Molmil](/molmil-images/mine/2p1e) | Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site | Descriptor: | Glyoxalase II, LACTIC ACID, SPERMIDINE, ... | Authors: | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | Deposit date: | 2007-03-05 | Release date: | 2008-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny. Biochemistry, 47, 2008
|
|
3GSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gsy by Molmil](/molmil-images/mine/3gsy) | Structure of berberine bridge enzyme in complex with dehydroscoulerine | Descriptor: | 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Winkler, A, Macheroux, P, Gruber, K. | Deposit date: | 2009-03-27 | Release date: | 2009-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Berberine bridge enzyme catalyzes the six electron oxidation of (S)-reticuline to dehydroscoulerine. Phytochemistry, 70, 2009
|
|
2P2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p2j by Molmil](/molmil-images/mine/2p2j) | Acetyl-CoA Synthetase, K609A mutation | Descriptor: | ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, COENZYME A | Authors: | Reger, A.S, Gulick, A.M. | Deposit date: | 2007-03-07 | Release date: | 2007-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and Crystallographic Analysis of Substrate Binding and Conformational Changes in Acetyl-CoA Synthetase. Biochemistry, 46, 2007
|
|
3GVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gvb by Molmil](/molmil-images/mine/3gvb) | |
3OO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oo6 by Molmil](/molmil-images/mine/3oo6) | |
3GWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gww by Molmil](/molmil-images/mine/3gww) | Leucine transporter LeuT in complex with S-fluoxetine | Descriptor: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, LEUCINE, SODIUM ION, ... | Authors: | Zhou, Z, Zhen, J, Karpowich, N.K, Law, C.J, Reith, M.E.A, Wang, D.N. | Deposit date: | 2009-04-01 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures. Nat.Struct.Mol.Biol., 16, 2009
|
|
4KLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4klm by Molmil](/molmil-images/mine/4klm) | DNA polymerase beta matched product complex with Mg2+, 11 h | 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*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. | Deposit date: | 2013-05-07 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | Observing a DNA polymerase choose right from wrong. Cell(Cambridge,Mass.), 154, 2013
|
|
3GV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gv5 by Molmil](/molmil-images/mine/3gv5) | |
3GVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gvm by Molmil](/molmil-images/mine/3gvm) | |
3GVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gvw by Molmil](/molmil-images/mine/3gvw) | Single-chain UROD F217Y (YF) mutation | Descriptor: | Uroporphyrinogen decarboxylase | Authors: | Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P. | Deposit date: | 2009-03-31 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen. J.Mol.Biol., 389, 2009
|
|
2P2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p2h by Molmil](/molmil-images/mine/2p2h) | Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor | Descriptor: | 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2007-03-07 | Release date: | 2007-03-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor J.Med.Chem., 50, 2007
|
|
2P2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p2q by Molmil](/molmil-images/mine/2p2q) | Acetyl-CoA Synthetase, R584E mutation | Descriptor: | ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase | Authors: | Reger, A.S, Gulick, A.M. | Deposit date: | 2007-03-07 | Release date: | 2007-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Biochemical and Crystallographic Analysis of Substrate Binding and Conformational Changes in Acetyl-CoA Synthetase. Biochemistry, 46, 2007
|
|
4O1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1k by Molmil](/molmil-images/mine/4o1k) | Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. | Descriptor: | Carbonic anhydrase, ZINC ION | Authors: | Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. Febs J., 281, 2014
|
|
3ORH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3orh by Molmil](/molmil-images/mine/3orh) | Human guanidinoacetate N-methyltransferase with SAH | Descriptor: | Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-07 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The crystal structure of human guanidinoacetate N-methyltransferase with SAH TO BE PUBLISHED
|
|
4NCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncz by Molmil](/molmil-images/mine/4ncz) | Spermidine N-acetyltransferase from Vibrio cholerae in complex with 2-[n-cyclohexylamino]ethane sulfonate. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, SODIUM ION, ... | Authors: | Osipiuk, J, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-25 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure. J.Mol.Biol., 427, 2015
|
|
3H9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h9k by Molmil](/molmil-images/mine/3h9k) | Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ... | Authors: | Gibson, L.M, Lovelace, L.L, Lebioda, L. | Deposit date: | 2009-04-30 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding. Acta Crystallogr.,Sect.D, 67, 2011
|
|
4NDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ndg by Molmil](/molmil-images/mine/4ndg) | Human Aprataxin (Aptx) bound to RNA-DNA and Zn - adenosine vanadate transition state mimic complex | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3', 5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3', Aprataxin, ... | Authors: | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | Deposit date: | 2013-10-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity. Nature, 506, 2013
|
|
4KP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kp3 by Molmil](/molmil-images/mine/4kp3) | Crystal Structure of MyoVa-GTD in Complex with Two Cargos | Descriptor: | Melanophilin, RILP-like protein 2, Unconventional myosin-Va | Authors: | Wei, Z, Liu, X, Yu, C, Zhang, M. | Deposit date: | 2013-05-13 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Structural basis of cargo recognitions for class V myosins Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4K3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k3l by Molmil](/molmil-images/mine/4k3l) | E. coli sliding clamp in complex with AcLF dipeptide | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-04-10 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
|
|
5RVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rvl by Molmil](/molmil-images/mine/5rvl) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580 | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, Non-structural protein 3 | Authors: | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-10-02 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
4KQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kq2 by Molmil](/molmil-images/mine/4kq2) | Glucose1,2cyclic phosphate bound activated state of Yeast Glycogen Synthase | Descriptor: | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide, 6-O-phosphono-alpha-D-glucopyranose, BARIUM ION, ... | Authors: | Chikwana, V.M, Hurley, T.D. | Deposit date: | 2013-05-14 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4NE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ne4 by Molmil](/molmil-images/mine/4ne4) | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, substrate binding protein (Proline/glycine/betaine), ... | Authors: | Tkaczuk, K.L, Nicholls, R, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-28 | Release date: | 2013-11-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB To be Published
|
|