7F8U
 
 | | Crystal structure of the cholecystokinin receptor CCKAR in complex with lintitript | | Descriptor: | 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid, Fusion protein of Cholecystokinin receptor type A and Endolysin | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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1XX0
 | | Structure of the C-terminal PH domain of human pleckstrin | | Descriptor: | Pleckstrin | | Authors: | Edlich, C, Stier, G, Simon, B, Sattler, M, Muhle-Goll, C. | | Deposit date: | 2004-11-03 | | Release date: | 2005-05-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure and phosphatidylinositol-(3,4)-bisphosphate binding of the C-terminal PH domain of human pleckstrin
STRUCTURE, 13, 2005
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7F8V
 | | Cryo-EM structure of the cholecystokinin receptor CCKBR in complex with gastrin-17 and Gi | | Descriptor: | Gastrin-17, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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7F8W
 | | Cryo-EM structure of the cholecystokinin receptor CCKBR in complex with gastrin-17 and Gq | | Descriptor: | Gastrin-17, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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6TY4
 | | FAK structure with AMP-PNP from single particle analysis of 2D crystals | | Descriptor: | Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | | Deposit date: | 2020-01-15 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (5.96 Å) | | Cite: | Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
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7MTZ
 | | Structure of the adeno-associated virus 9 capsid at pH pH 7.4 in complex with terminal galactose | | Descriptor: | Capsid protein VP1, beta-D-galactopyranose | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-14 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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7MUA
 | | Structure of the adeno-associated virus 9 capsid at pH pH 5.5 in complex with terminal galactose | | Descriptor: | Capsid protein VP1, beta-D-galactopyranose | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-14 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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6TUU
 | | Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid | | Descriptor: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, CHLORIDE ION, DNA repair and recombination protein RadA, ... | | Authors: | Pantelejevs, T, Hyvonen, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Development of dedicated crystallographic systems for structure-guided drug discovery
To Be Published
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7MS7
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (5-((4-(4-chlorophenyl)piperidin-1-yl)sulfonyl)picolinoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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7F1W
 | | X-ray crystal structure of visual arrestin complexed with inositol hexaphosphate | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, S-arrestin | | Authors: | Kang, M, Jang, K, Eger, B.T, Ernst, O.P, Choe, H.W, Kim, Y.J. | | Deposit date: | 2021-06-10 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.097 Å) | | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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7MS5
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid, CALCIUM ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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7F1X
 | | X-ray crystal structure of visual arrestin complexed with inositol 1,4,5-triphosphate | | Descriptor: | 1,2-ETHANEDIOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, PENTANEDIAL, ... | | Authors: | Jang, K, Kang, M, Eger, B.T, Choe, H.W, Ernst, O.P, Kim, Y.J. | | Deposit date: | 2021-06-10 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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7MS6
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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1S4S
 | | Reaction Intermediate in the Photocycle of PYP, intermediate occupied between 100 micro-seconds to 5 milli-seconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | | Deposit date: | 2004-01-17 | | Release date: | 2004-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
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5OQN
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6U3T
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-22 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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5OPY
 | | Crystal structure of anti-alphaVbeta3 integrin Fab LM609 | | Descriptor: | Heavy chain of LM609 Fab (antigen-binding fragment), Light chain of LM609 Fab (antigen-binding fragment) | | Authors: | Backovic, M, Veesler, D, Borst, A.J, James, Z.M, Zagotta, W, Ginsberg, M, Rey, F.A, DiMaio, F. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance.
Structure, 25, 2017
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6U4P
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-26 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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5OSH
 | | Structure of retromer VPS29-VPS35C subunits complexed with RidL N-terminal domain (1-236) | | Descriptor: | Interaptin, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | | Authors: | Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7JIT
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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7JIR
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ACETATE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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7JJO
 | | Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor | | Descriptor: | Beta1-Adrenergic Receptor, 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, ... | | Authors: | Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-02 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor.
Mol.Cell, 80, 2020
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4A5W
 | | Crystal structure of C5b6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ... | | Authors: | Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P. | | Deposit date: | 2011-10-28 | | Release date: | 2012-03-14 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9.
Cell Rep., 1, 2012
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4A35
 | | Crystal structure of human Mitochondrial enolase superfamily member 1 (ENOSF1) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MITOCHONDRIAL ENOLASE SUPERFAMILY MEMBER 1 | | Authors: | Muniz, J.R.C, Froese, D.S, Krojer, T, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Yue, W.W. | | Deposit date: | 2011-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Enzymatic and structural characterization of rTS gamma provides insights into the function of rTS beta.
Biochemistry, 53, 2014
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6TV0
 | | Serratia spp. cyanase hydratase | | Descriptor: | Cyanate hydratase, GLYCEROL, OXALIC ACID | | Authors: | Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen.
Acta Crystallogr.,Sect.F, 76, 2020
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