5C2C
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![BU of 5c2c by Molmil](/molmil-images/mine/5c2c) | GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (unliganded form) | Descriptor: | CHLORIDE ION, Form II RubisCO, MAGNESIUM ION | Authors: | Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R. | Deposit date: | 2015-06-15 | Release date: | 2015-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria. Environ.Microbiol., 18, 2016
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2MII
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![BU of 2mii by Molmil](/molmil-images/mine/2mii) | NMR structure of E. coli LpoB | Descriptor: | Penicillin-binding protein activator LpoB | Authors: | Jean, N.L, Egan, A.J.F, Koumoutsi, A, Bougault, C.M, Typas, A, Vollmer, W, Simorre, J.P. | Deposit date: | 2013-12-13 | Release date: | 2014-05-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Outer-membrane lipoprotein LpoB spans the periplasm to stimulate the peptidoglycan synthase PBP1B. Proc.Natl.Acad.Sci.USA, 111, 2014
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5C2G
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![BU of 5c2g by Molmil](/molmil-images/mine/5c2g) | GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (CABP-bound). | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, Form II RubisCO, MAGNESIUM ION | Authors: | Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R. | Deposit date: | 2015-06-15 | Release date: | 2015-12-16 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria. Environ.Microbiol., 18, 2016
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5H3D
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![BU of 5h3d by Molmil](/molmil-images/mine/5h3d) | Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation | Descriptor: | Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1 | Authors: | Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J. | Deposit date: | 2016-10-22 | Release date: | 2019-01-16 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages. Plos Comput.Biol., 15, 2019
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5CCS
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![BU of 5ccs by Molmil](/molmil-images/mine/5ccs) | Human Cyclophilin D Complexed with Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-02 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor To Be Published
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5FU3
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![BU of 5fu3 by Molmil](/molmil-images/mine/5fu3) | The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition | Descriptor: | CBM74-RFGH5, SODIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J. | Deposit date: | 2016-01-20 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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5CIX
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![BU of 5cix by Molmil](/molmil-images/mine/5cix) | Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution | Descriptor: | 2,2',2''-NITRILOTRIETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | Authors: | Singh, P.K, Pandey, S, Tyagi, T.K, Singh, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-07-13 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution. To Be Published
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2NP8
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![BU of 2np8 by Molmil](/molmil-images/mine/2np8) | Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors | Descriptor: | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V. | Deposit date: | 2006-10-26 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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5F8U
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![BU of 5f8u by Molmil](/molmil-images/mine/5f8u) | |
5COH
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![BU of 5coh by Molmil](/molmil-images/mine/5coh) | |
5CZM
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![BU of 5czm by Molmil](/molmil-images/mine/5czm) | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | Authors: | Rouanet-Mehouas, C, Roselia, L, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2015-07-31 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.303 Å) | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem., 60, 2017
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5AEP
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![BU of 5aep by Molmil](/molmil-images/mine/5aep) | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | Descriptor: | 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D. | Deposit date: | 2015-01-08 | Release date: | 2015-04-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders. Bioorg.Med.Chem., 23, 2015
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4A7Q
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![BU of 4a7q by Molmil](/molmil-images/mine/4a7q) | Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group. | Descriptor: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ... | Authors: | Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-24 | Last modified: | 2013-08-28 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions. Curr.Med.Chem., 20, 2013
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5EQG
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![BU of 5eqg by Molmil](/molmil-images/mine/5eqg) | Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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5AJO
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![BU of 5ajo by Molmil](/molmil-images/mine/5ajo) | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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5FA6
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![BU of 5fa6 by Molmil](/molmil-images/mine/5fa6) | wild type human CYPOR | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K. | Deposit date: | 2015-12-11 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype. J.Biol.Chem., 291, 2016
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5CZ1
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![BU of 5cz1 by Molmil](/molmil-images/mine/5cz1) | |
2O0U
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![BU of 2o0u by Molmil](/molmil-images/mine/2o0u) | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide | Descriptor: | Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE | Authors: | Rowland, P, Somers, D. | Deposit date: | 2006-11-28 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
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4F3Z
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![BU of 4f3z by Molmil](/molmil-images/mine/4f3z) | Crystal structure of a swine H1N2 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2012-05-09 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Functional Balance of the Hemagglutinin and Neuraminidase Activities Accompanies the Emergence of the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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5EMN
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![BU of 5emn by Molmil](/molmil-images/mine/5emn) | Crystal Structure of Human NADPH-Cytochrome P450 Reductase(A287P mutant) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K. | Deposit date: | 2015-11-06 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype. J.Biol.Chem., 291, 2016
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5EQB
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![BU of 5eqb by Molmil](/molmil-images/mine/5eqb) | Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2015-11-12 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer. Proc.Natl.Acad.Sci.USA, 111, 2014
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5CXT
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![BU of 5cxt by Molmil](/molmil-images/mine/5cxt) | |
5CZ2
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![BU of 5cz2 by Molmil](/molmil-images/mine/5cz2) | Crystal structure of a two-domain fragment of MMTV integrase | Descriptor: | MAGNESIUM ION, Pol polyprotein, ZINC ION | Authors: | Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | Deposit date: | 2015-07-31 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016
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5APO
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![BU of 5apo by Molmil](/molmil-images/mine/5apo) | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and C-terminally tagged Rei1 | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, N. | Deposit date: | 2015-09-17 | Release date: | 2015-12-16 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation. Cell(Cambridge,Mass.), 164, 2016
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5AYN
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![BU of 5ayn by Molmil](/molmil-images/mine/5ayn) | Crystal structure of a bacterial homologue of iron transporter ferroportin in outward-facing state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, Solute carrier family 39 (Iron-regulated transporter) | Authors: | Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O. | Deposit date: | 2015-08-25 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin Nat Commun, 6, 2015
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