8Y65
 
 | | Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate | | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID | | Authors: | Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. | | Deposit date: | 2024-02-01 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
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9FKY
 | | Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | | Descriptor: | Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-[3-cyano-4-(trifluoromethyl)phenyl]ethyl]propanamide | | Authors: | Hargreaves, D. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.557 Å) | | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024
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9FO5
 | | Coxsackievirus A9 bound with compound 19 (CL313) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-06-11 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9BQJ
 | | RO76 bound muOR-Gi1-scFv16 complex structure | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, H, Majumdar, S, Kobilka, B.K. | | Deposit date: | 2024-05-10 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Signaling Modulation Mediated by Ligand Water Interactions with the Sodium Site at mu OR.
Acs Cent.Sci., 10, 2024
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9FGN
 | | Coxsackievirus A9 bound with compound 18 (CL304) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-05-24 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9EXI
 | | Coxsackievirus A9 bound with compound 14 (CL275) | | Descriptor: | 4-[(4-methylpiperazin-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]aniline, Capsid protein VP1, Capsid protein VP2, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-04-08 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9F18
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8WDN
 | | Crystal structure of PDE4D complexed with 7b-1 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.
J.Med.Chem., 67, 2024
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9FP5
 | | Coxsackievirus A9 bound with CL213. | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-06-13 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9FA9
 | | Coxsackievirus A9 bound with compound 16 (CL298) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-05-10 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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8YLB
 | | Cocrystal structures of agonists compound 1 with HsClpP | | Descriptor: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Zhao, N, Zhu, Y, Bao, R. | | Deposit date: | 2024-03-06 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
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9GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ... | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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4XII
 | | X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S. | | Deposit date: | 2015-01-07 | | Release date: | 2015-07-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.
Bioorg.Med.Chem., 23, 2015
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1IDS
 | | X-RAY STRUCTURE ANALYSIS OF THE IRON-DEPENDENT SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TUBERCULOSIS AT 2.0 ANGSTROMS RESOLUTIONS REVEALS NOVEL DIMER-DIMER INTERACTIONS | | Descriptor: | FE (III) ION, IRON SUPEROXIDE DISMUTASE | | Authors: | Cooper, J.B, Mcintyre, K, Wood, S.P, Zhang, Y, Young, D. | | Deposit date: | 1994-09-29 | | Release date: | 1994-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions.
J.Mol.Biol., 246, 1995
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9BR6
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9INR
 | | Crystal structure of PIN1 in complex with inhibitor C3 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | | Authors: | Zhang, L.Y. | | Deposit date: | 2024-07-08 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
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9BR7
 | | Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT) in complex with Losartan carboxylic acid | | Descriptor: | AMMONIUM ION, SULFATE ION, Succinate--hydroxymethylglutarate CoA-transferase, ... | | Authors: | Wu, R, Lazarus, M.B. | | Deposit date: | 2024-05-10 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1.
Acs Chem.Biol., 19, 2024
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9BCG
 | | Myeloid cell leukemia-1 (Mcl-1) complexed with compound | | Descriptor: | 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhao, B, Fesik, S.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.
J.Med.Chem., 67, 2024
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6QTK
 | | 2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA | | Descriptor: | (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D. | | Deposit date: | 2019-02-25 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase.
Acs Infect Dis., 5, 2019
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6KGS
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.309 Å) | | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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6KGW
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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2MT8
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2NB8
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1J2O
 | | Structure of FLIN2, a complex containing the N-terminal LIM domain of LMO2 and ldb1-LID | | Descriptor: | Fusion of Rhombotin-2 and LIM domain-binding protein 1, ZINC ION | | Authors: | Deane, J.E, Mackay, J.P, Kwan, A.H, Sum, E.Y, Visvader, J.E, Matthews, J.M. | | Deposit date: | 2003-01-08 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4
EMBO J., 22, 2003
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6KO6
 | | Crystal structure of AMPPNP bound Cka1 from C. neoformans | | Descriptor: | CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Cho, H.S, Yoo, Y. | | Deposit date: | 2019-08-08 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans.
Sci Rep, 9, 2019
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