7Q4E
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![BU of 7q4e by Molmil](/molmil-images/mine/7q4e) | Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin I-converting enzyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lubbe, L, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2021-10-30 | Release date: | 2022-07-20 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization. Embo J., 41, 2022
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3PWH
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![BU of 3pwh by Molmil](/molmil-images/mine/3pwh) | Thermostabilised Adenosine A2A Receptor | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a | Authors: | Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Tehan, B, Hurrell, E, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H. | Deposit date: | 2010-12-08 | Release date: | 2011-09-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.296 Å) | Cite: | Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine Structure, 19, 2011
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7Q4D
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![BU of 7q4d by Molmil](/molmil-images/mine/7q4d) | Local refinement structure of the two interacting N-domains of full-length, dimeric, soluble somatic angiotensin I-converting enzyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lubbe, L, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2021-10-30 | Release date: | 2022-07-20 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization. Embo J., 41, 2022
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7Q12
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![BU of 7q12 by Molmil](/molmil-images/mine/7q12) | Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0B
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![BU of 7q0b by Molmil](/molmil-images/mine/7q0b) | Human GYS1-GYG1 complex inhibited state | Descriptor: | Glycogen [starch] synthase, muscle, Glycogenin-1 | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-14 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q13
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![BU of 7q13 by Molmil](/molmil-images/mine/7q13) | Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate, uridine diphosphate, and glucose | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0S
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![BU of 7q0s by Molmil](/molmil-images/mine/7q0s) | Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-16 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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3PNF
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![BU of 3pnf by Molmil](/molmil-images/mine/3pnf) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S, Poulos, T.L. | Deposit date: | 2010-11-18 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase. J.Med.Chem., 54, 2011
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3PUH
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![BU of 3puh by Molmil](/molmil-images/mine/3puh) | |
3PUY
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![BU of 3puy by Molmil](/molmil-images/mine/3puy) | |
3Q1E
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![BU of 3q1e by Molmil](/molmil-images/mine/3q1e) | Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase in complex with T4 | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, 5-hydroxyisourate hydrolase | Authors: | Cendron, L, Ramazzina, I, Percudani, R, Zanotti, G, Berni, R. | Deposit date: | 2010-12-17 | Release date: | 2011-05-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign. J.Mol.Biol., 409, 2011
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7PP1
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7QTA
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![BU of 7qta by Molmil](/molmil-images/mine/7qta) | S1 nuclease from Aspergillus oryzae in complex with uridine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | Authors: | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2022-01-14 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects. Acta Crystallogr D Struct Biol, 78, 2022
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3UEM
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![BU of 3uem by Molmil](/molmil-images/mine/3uem) | Crystal structure of human PDI bb'a' domains | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Protein disulfide-isomerase | Authors: | Yu, J, Wang, C, Huo, L, Feng, W, Wang, C.-C. | Deposit date: | 2011-10-30 | Release date: | 2011-11-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Human protein-disulfide isomerase is a redox-regulated chaperone activated by oxidation of domain a' J.Biol.Chem., 287, 2012
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3UFU
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![BU of 3ufu by Molmil](/molmil-images/mine/3ufu) | Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.886 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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3QAS
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![BU of 3qas by Molmil](/molmil-images/mine/3qas) | Structure of Undecaprenyl Diphosphate synthase | Descriptor: | Undecaprenyl pyrophosphate synthase | Authors: | Cao, R, Oldfield, E. | Deposit date: | 2011-01-11 | Release date: | 2011-03-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target. Chem.Biol.Drug Des., 77, 2011
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3QBI
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3QAK
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![BU of 3qak by Molmil](/molmil-images/mine/3qak) | Agonist bound structure of the human adenosine A2a receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,lysozyme chimera | Authors: | Xu, F, Wu, H, Katritch, V, Han, G.W, Cherezov, V, Stevens, R, GPCR Network (GPCR) | Deposit date: | 2011-01-11 | Release date: | 2011-03-09 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure of an agonist-bound human A2A adenosine receptor. Science, 332, 2011
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7QTV
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![BU of 7qtv by Molmil](/molmil-images/mine/7qtv) | Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx) | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | Deposit date: | 2022-01-16 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.05 Å) | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state. J.Biol.Chem., 298, 2022
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7QL7
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![BU of 7ql7 by Molmil](/molmil-images/mine/7ql7) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-19 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
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7QBR
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![BU of 7qbr by Molmil](/molmil-images/mine/7qbr) | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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3PTM
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![BU of 3ptm by Molmil](/molmil-images/mine/3ptm) | The crystal structure of rice (Oryza sativa L.) Os4BGlu12 with 2-fluoroglucopyranoside | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase Os4BGlu12, GLYCEROL, ... | Authors: | Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R. | Deposit date: | 2010-12-03 | Release date: | 2011-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity Arch.Biochem.Biophys., 510, 2011
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7QBQ
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![BU of 7qbq by Molmil](/molmil-images/mine/7qbq) | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | Descriptor: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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3PZ4
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![BU of 3pz4 by Molmil](/molmil-images/mine/3pz4) | Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BMS3 and lipid substrate FPP | Descriptor: | (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ... | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2010-12-14 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
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3PUW
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![BU of 3puw by Molmil](/molmil-images/mine/3puw) | |