7T96
 
 | | Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | Deposit date: | 2021-12-18 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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7T94
 | | Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ... | | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | Deposit date: | 2021-12-17 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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5EFA
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2VNO
 | | Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group B-trisaccharide ligand. | | Descriptor: | CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[beta-D-galactopyranose-(1-3)]beta-D-galactopyranose | | Authors: | Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B. | | Deposit date: | 2008-02-05 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
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7TEU
 | | Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | | Descriptor: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Hubbard, S.R. | | Deposit date: | 2022-01-05 | | Release date: | 2023-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
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1UFI
 | | Crystal structure of the dimerization domain of human CENP-B | | Descriptor: | Major centromere autoantigen B | | Authors: | Tawaramoto, M.S, Kurumizaka, H, Tanaka, Y, Park, S.-Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-05-30 | | Release date: | 2004-02-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the human centromere protein B (CENP-B) dimerization domain at 1.65-A resolution
J.Biol.Chem., 278, 2003
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3IXF
 | | Crystal Structure of Dehaloperoxidase B at 1.58 and Structural Characterization of the AB Dimer from Amphitrite ornata | | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Serrano, V.S, D'Antonio, J, Thompson, M.K, Franzen, S, Ghiladi, R.A. | | Deposit date: | 2009-09-03 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure of dehaloperoxidase B at 1.58 A resolution and structural characterization of the AB dimer from Amphitrite ornata.
Acta Crystallogr.,Sect.D, 66, 2010
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1F6C
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5BTL
 | | Crystal structure of a topoisomerase II complex | | Descriptor: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | | Deposit date: | 2015-06-03 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4QHK
 | | UCA (unbound) from CH103 Lineage | | Descriptor: | UCA heavy chain, UCA light chain | | Authors: | Fera, D, Harrison, S.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.487 Å) | | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7WYO
 | | Structure of the EV71 3Cpro with 338 inhibitor | | Descriptor: | 3C protein, N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYL
 | | Structure of the EV71 3Cpro with 337 inhibitor | | Descriptor: | 3C protein, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7C2V
 | | Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948 | | Descriptor: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Krishnamurthy, N.R, Robert, B. | | Deposit date: | 2020-05-09 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
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1OJD
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8UM3
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | | 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: | 2023-10-17 | | Release date: | 2023-11-01 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
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4QHL
 | | I3.2 (unbound) from CH103 Lineage | | Descriptor: | I3 heavy chain, UCA light chain | | Authors: | Fera, D, Harrison, S.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.153 Å) | | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7USH
 | | BRD2-BD2 in complex with SF2523 | | Descriptor: | 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2 | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7XRK
 | | Diol dehydratase complexed with AdoMeCbl | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, CALCIUM ION, COBALAMIN, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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7XRM
 | | Ethanolamine ammonia-lyase complexed with AdoMeCbl | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, COBALAMIN, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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7XRL
 | | Diol dehydratase complexed with AdoMeCbl and 1,2-propanediol | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, CALCIUM ION, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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7XR9
 | | Crystal structure of DgpA with glucose | | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose | | Authors: | Ma, W, He, P. | | Deposit date: | 2022-05-09 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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4QHN
 | | I2 (unbound) from CH103 Lineage | | Descriptor: | I2 heavy chain, I2 light chain | | Authors: | Fera, D, Harrison, S.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QHM
 | | I3.1 (unbound) from CH103 Lineage | | Descriptor: | I2 light chain, I3 heavy chain | | Authors: | Fera, D, Harrison, S.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1NSB
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8UW7
 | | Structure of AKT1(WT) with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-06 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
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