2LNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lnq by Molmil](/molmil-images/mine/2lnq) | 40-residue D23N beta amyloid fibril | Descriptor: | P3(40) | Authors: | Qiang, W, Yau, W, Luo, Y, Mattson, M.P, Tycko, R. | Deposit date: | 2012-01-03 | Release date: | 2012-02-08 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Antiparallel beta-sheet architecture in Iowa-mutant beta-amyloid fibrils. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6DHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dhe by Molmil](/molmil-images/mine/6dhe) | RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
|
|
8TAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tar by Molmil](/molmil-images/mine/8tar) | APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G. | Deposit date: | 2023-06-27 | Release date: | 2023-09-27 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C). Nat.Struct.Mol.Biol., 30, 2023
|
|
2R5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r5a by Molmil](/molmil-images/mine/2r5a) | |
2R5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r5m by Molmil](/molmil-images/mine/2r5m) | |
6DLV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dlv by Molmil](/molmil-images/mine/6dlv) | Cryo-EM of the GTP-bound human dynamin-1 polymer assembled on the membrane in the super constricted state | Descriptor: | Dynamin-1 | Authors: | Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E. | Deposit date: | 2018-06-02 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (10.1 Å) | Cite: | Cryo-EM of the dynamin polymer assembled on lipid membrane. Nature, 560, 2018
|
|
8TAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tau by Molmil](/molmil-images/mine/8tau) | APC/C-CDH1-UBE2C-UBE2S-Ubiquitin-CyclinB | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G. | Deposit date: | 2023-06-27 | Release date: | 2023-09-27 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C). Nat.Struct.Mol.Biol., 30, 2023
|
|
4CD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cd0 by Molmil](/molmil-images/mine/4cd0) | Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol | Descriptor: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
|
|
3MBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mby by Molmil](/molmil-images/mine/3mby) | Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer | Descriptor: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Hou, E.W, Pedersen, L.C, Prasad, R, Wilson, S.H. | Deposit date: | 2010-03-26 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenic conformation of 8-oxo-7,8-dihydro-2'-dGTP in the confines of a DNA polymerase active site. Nat.Struct.Mol.Biol., 17, 2010
|
|
4C1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c1r by Molmil](/molmil-images/mine/4c1r) | Bacteroides thetaiotaomicron VPI-5482 mannosyl-6-phosphatase Bt3783 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MANNOSYL-6-PHOSPHATASE | Authors: | Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J. | Deposit date: | 2013-08-13 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism. Nature, 517, 2015
|
|
6DVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dvn by Molmil](/molmil-images/mine/6dvn) | |
9RAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9rat by Molmil](/molmil-images/mine/9rat) | |
3UI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ui7 by Molmil](/molmil-images/mine/3ui7) | Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, S, Smotryski, J, Mcelroy, W, Ho, G, Tulshian, D, Greenlee, W.J, Hodgson, R, Xiao, L, Hruza, A. | Deposit date: | 2011-11-04 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
|
|
2J6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j6z by Molmil](/molmil-images/mine/2j6z) | Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
|
|
1MDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mdx by Molmil](/molmil-images/mine/1mdx) | Crystal structure of ArnB transferase with pyridoxal 5' phosphate | Descriptor: | 2-OXOGLUTARIC ACID, ArnB aminotransferase, GLYCEROL, ... | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T.A, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | Deposit date: | 2002-08-07 | Release date: | 2002-12-11 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme Structure, 10, 2002
|
|
8Y6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y6u by Molmil](/molmil-images/mine/8y6u) | |
5A27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a27 by Molmil](/molmil-images/mine/5a27) | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor. | Descriptor: | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-05-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase. Medchemcomm, 6, 2015
|
|
2J5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j5c by Molmil](/molmil-images/mine/2j5c) | Rational conversion of substrate and product specificity in a monoterpene synthase. Structural insights into the molecular basis of rapid evolution. | Descriptor: | 1,8-CINEOLE SYNTHASE, BETA-MERCAPTOETHANOL | Authors: | Kampranis, S.C, Ioannidis, D, Purvis, A, Mahrez, W, Ninga, E, Katerelos, N.A, Anssour, S, Dunwell, J.M, Makris, A.M, Goodenough, P.W, Johnson, C.B. | Deposit date: | 2006-09-14 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Conversion of Substrate and Product Specificity in a Salvia Monoterpene Synthase: Structural Insights Into the Evolution of Terpene Synthase Function. Plant Cell, 19, 2007
|
|
5A4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a4r by Molmil](/molmil-images/mine/5a4r) | Crystal structure of a vitamin B12 trafficking protein | Descriptor: | METHYLMALONIC ACIDURIA AND HOMOCYSTINURIA TYPE D HOMOLOG, MITOCHONDRIAL | Authors: | Kopec, J, Fitzpatrick, F, Froese, D.S, Velupillai, S, Nowak, R, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Fowler, B, Baumgartner, M.R, Yue, W.W. | Deposit date: | 2015-06-11 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insights Into the Mmachc-Mmadhc Protein Complex Involved in Vitamin B12 Trafficking. J.Biol.Chem., 290, 2015
|
|
5A28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a28 by Molmil](/molmil-images/mine/5a28) | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor. | Descriptor: | 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-05-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase. Medchemcomm, 6, 2015
|
|
1I1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i1s by Molmil](/molmil-images/mine/1i1s) | SOLUTION STRUCTURE OF THE TRANSCRIPTIONAL ACTIVATION DOMAIN OF THE BACTERIOPHAGE T4 PROTEIN MOTA | Descriptor: | MOTA | Authors: | Li, N, Zhang, W, White, S.W, Kriwacki, R.W. | Deposit date: | 2001-02-02 | Release date: | 2001-02-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the transcriptional activation domain of the bacteriophage T4 protein, MotA. Biochemistry, 40, 2001
|
|
7MIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mit by Molmil](/molmil-images/mine/7mit) | Vascular KATP channel: Kir6.1 SUR2B propeller-like conformation 1 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ... | Authors: | Sung, M.W, Shyng, S.L. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2J70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j70 by Molmil](/molmil-images/mine/2j70) | Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
|
|
5HYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hyr by Molmil](/molmil-images/mine/5hyr) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 and Estradiol | Descriptor: | ESTRADIOL, Estrogen receptor, GLYCEROL, ... | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Tajkhorshid, E, Greene, G.L, Moore, T.W. | Deposit date: | 2016-02-01 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
4CNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cnh by Molmil](/molmil-images/mine/4cnh) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy)-5-(1-methyl-1H- 1,2,3-triazol-5-yl)pyridin-2-amine | Descriptor: | 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-triazol-5-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-01-22 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
|
|