7YUZ
 
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YPR
 | | Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1. | | Descriptor: | COPPER (II) ION, POTASSIUM ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Sim, K.-S, Fukuda, Y, Inoue, T. | | Deposit date: | 2022-08-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023
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7ZJC
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7ZVM
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4K2C
 | | HSA Ligand Free | | Descriptor: | Serum albumin | | Authors: | Wang, Y, Luo, Z, Shi, X, Huang, M. | | Deposit date: | 2013-04-08 | | Release date: | 2013-05-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin.
J. Biol. Chem., 288, 2013
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2ZNX
 | | 5-Fluorotryptophan Incorporated ScFv10 Complexed to Hen Egg Lysozyme | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv | | Authors: | DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S. | | Deposit date: | 2008-05-02 | | Release date: | 2009-01-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
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7ZYS
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2227 | | Descriptor: | 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-05-25 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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4K2G
 | | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | | Descriptor: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | | Deposit date: | 2013-04-09 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
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7ZPG
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | | Descriptor: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | | Authors: | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | | Deposit date: | 2022-04-27 | | Release date: | 2022-09-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
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8A02
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8A06
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7ZZZ
 | | Bacteriophage phiCjT23 capsid | | Descriptor: | Major capsid protein P5, Spike protein P13 N-terminal, capsid internal domain, ... | | Authors: | Rissanen, I, Kejzar, N, Huiskonen, J.T. | | Deposit date: | 2022-05-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution.
Nat Commun, 13, 2022
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8A05
 | | Bacteriophage phiCjT23 spike protein penton domain | | Descriptor: | Spike protein P13 N-terminal, capsid internal domain, Unknown vertex protein | | Authors: | Rissanen, I, Huiskonen, J.T. | | Deposit date: | 2022-05-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution.
Nat Commun, 13, 2022
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8A03
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8A01
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8A04
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1REK
 | | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8 | | Descriptor: | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE, PENTANAL, cAMP-dependent protein kinase, ... | | Authors: | Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2003-11-06 | | Release date: | 2004-02-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
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7ZGB
 | | Structure of yeast Sec14p with NPPM112 | | Descriptor: | 4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide, SEC14 cytosolic factor | | Authors: | Hong, Z, Johnen, P, Schaaf, G, Bono, F. | | Deposit date: | 2022-04-03 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
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7ZGA
 | | Structure of yeast Sec14p with ergoline | | Descriptor: | SEC14 cytosolic factor, ~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate | | Authors: | Hong, Z, Johnen, P, Schaaf, G, Bono, F. | | Deposit date: | 2022-04-03 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
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7ZG9
 | | Structure of yeast Sec14p with himbacine | | Descriptor: | Himbacine, SEC14 cytosolic factor | | Authors: | Hong, Z, Johnen, P, Schaaf, G, Bono, F. | | Deposit date: | 2022-04-03 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
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7ZGD
 | | Structure of yeast Sec14p with NPPM244 | | Descriptor: | (4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone, SEC14 cytosolic factor | | Authors: | Hong, Z, Johnen, P, Schaaf, G, Bono, F. | | Deposit date: | 2022-04-03 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
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7ZGC
 | | Structure of yeast Sec14p with NPPM481 | | Descriptor: | (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone, PHOSPHATE ION, SEC14 cytosolic factor | | Authors: | Hong, Z, Johnen, P, Schaaf, G, Bono, F. | | Deposit date: | 2022-04-03 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.236 Å) | | Cite: | Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
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7ZW5
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2259 | | Descriptor: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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4EPH
 | | CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor | | Descriptor: | 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | Deposit date: | 2012-04-17 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
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