8V8W
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7ARO
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![BU of 7aro by Molmil](/molmil-images/mine/7aro) | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.119 Å) | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor. J.Med.Chem., 64, 2021
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8V4G
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![BU of 8v4g by Molmil](/molmil-images/mine/8v4g) | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP and NADP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ... | Authors: | Schumann, M.E, Thoden, J.B, Holden, H.M, Raushel, F.M. | Deposit date: | 2023-11-29 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni. Biochemistry, 63, 2024
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8V7R
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![BU of 8v7r by Molmil](/molmil-images/mine/8v7r) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 | Descriptor: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 To Be Published
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6V0Q
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![BU of 6v0q by Molmil](/molmil-images/mine/6v0q) | Crystal structure of the bromodomain of human BRD7 bound to TG003 | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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8V7U
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![BU of 8v7u by Molmil](/molmil-images/mine/8v7u) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 To Be Published
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3NWF
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![BU of 3nwf by Molmil](/molmil-images/mine/3nwf) | Glycoprotein B from Herpes simplex virus type 1, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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8USP
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8V4H
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![BU of 8v4h by Molmil](/molmil-images/mine/8v4h) | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ... | Authors: | Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M. | Deposit date: | 2023-11-29 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni. Biochemistry, 63, 2024
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2BSS
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![BU of 2bss by Molmil](/molmil-images/mine/2bss) | Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | Descriptor: | BETA-2-MICROGLOBULIN, HIV PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN B-27 ALPHA CHAIN | Authors: | Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P. | Deposit date: | 2005-05-23 | Release date: | 2005-05-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705 Eur.J.Immunol., 35, 2005
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5JPQ
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![BU of 5jpq by Molmil](/molmil-images/mine/5jpq) | Cryo-EM structure of the 90S pre-ribosome | Descriptor: | 18S ribosomal RNA, Bms1, Emg1, ... | Authors: | Turk, M, Cheng, J, Berninghausen, O, Kornprobst, M, Flemming, D, Kos-Braun, I.C, Kos, M, Thoms, M, Hurt, E, Beckmann, R. | Deposit date: | 2016-05-04 | Release date: | 2016-07-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Architecture of the 90S Pre-ribosome: A Structural View on the Birth of the Eukaryotic Ribosome. Cell, 166, 2016
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7B27
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4Y80
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![BU of 4y80 by Molmil](/molmil-images/mine/4y80) | Yeast 20S proteasome in complex with Ac-LAI-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAI-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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2C3Y
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![BU of 2c3y by Molmil](/molmil-images/mine/2c3y) | CRYSTAL STRUCTURE OF THE RADICAL FORM OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM Desulfovibrio africanus | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | Deposit date: | 2005-10-13 | Release date: | 2006-02-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate. Structure, 14, 2006
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6V8A
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![BU of 6v8a by Molmil](/molmil-images/mine/6v8a) | Human CtBP1 (28-375) in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Royer, W.E. | Deposit date: | 2019-12-10 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP). J.Biol.Chem., 296, 2021
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5CLX
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![BU of 5clx by Molmil](/molmil-images/mine/5clx) | X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution | Descriptor: | GLYCEROL, Transthyretin | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | Deposit date: | 2015-07-16 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution To Be Published
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6UXY
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![BU of 6uxy by Molmil](/molmil-images/mine/6uxy) | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | Descriptor: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Palte, R.L, Schneider, S.E. | Deposit date: | 2019-11-08 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
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8C0P
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3NRX
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![BU of 3nrx by Molmil](/molmil-images/mine/3nrx) | Insights into anti-parallel microtubule crosslinking by PRC1, a conserved non-motor microtubule binding protein | Descriptor: | Protein regulator of cytokinesis 1 | Authors: | Kapoor, T.M, Subramanian, R, Wilson-Kubalek, E.M, Arthur, C.P, Bick, M.J, Campbell, E.A, Darst, S.A, Milligan, R.A. | Deposit date: | 2010-06-30 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into Antiparallel Microtubule Crosslinking by PRC1, a Conserved Nonmotor Microtubule Binding Protein. Cell(Cambridge,Mass.), 142, 2010
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6B7D
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![BU of 6b7d by Molmil](/molmil-images/mine/6b7d) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine | Descriptor: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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7AIR
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![BU of 7air by Molmil](/molmil-images/mine/7air) | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2020-09-28 | Release date: | 2021-06-02 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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6V3Z
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7AIP
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![BU of 7aip by Molmil](/molmil-images/mine/7aip) | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2020-09-28 | Release date: | 2021-06-02 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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8V0Y
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6PP9
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![BU of 6pp9 by Molmil](/molmil-images/mine/6pp9) | Crystal structure of BRAF:MEK1 complex | Descriptor: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | Deposit date: | 2019-07-05 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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