6S7H
 
 | | Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state | | Descriptor: | (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ... | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019
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6I5I
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1 | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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1PDX
 | | PUTIDAREDOXIN | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | | Authors: | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | | Deposit date: | 1999-02-15 | | Release date: | 1999-05-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A refined model for the solution structure of oxidized putidaredoxin.
Biochemistry, 38, 1999
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6I5K
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6I5H
 | | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | | Authors: | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6S7F
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5BPZ
 | | Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain | | Descriptor: | 1,2-ETHANEDIOL, Anapc5 protein | | Authors: | Cronin, N, Yang, J, Zhang, Z, Barford, D. | | Deposit date: | 2015-05-28 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
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6TVG
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5BPT
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6I5L
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | | Descriptor: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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5DL1
 | | ClpP from Staphylococcus aureus in complex with AV145 | | Descriptor: | 1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Vielberg, M.-T, Groll, M. | | Deposit date: | 2015-09-04 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Reversible Inhibitors Arrest ClpP in a Defined Conformational State that Can Be Revoked by ClpX Association.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6TWA
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-12 | | Release date: | 2020-02-19 | | Last modified: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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6UUD
 | | Crystal structure of antibody 5D5 in complex with PfCSP N-terminal peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5D5 Antibody Fab, ... | | Authors: | Thai, E, Scally, S.W, Julien, J.P. | | Deposit date: | 2019-10-30 | | Release date: | 2020-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A high-affinity antibody against the CSP N-terminal domain lacks Plasmodium falciparum inhibitory activity.
J.Exp.Med., 217, 2020
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7BCJ
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7LX2
 | | Cryo-EM structure of ConSOSL.UFO.664 (ConS) in complex with bNAb PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ... | | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | | Deposit date: | 2021-03-03 | | Release date: | 2022-03-09 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
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7LX3
 | | Cryo-EM structure of EDC-crosslinked ConSOSL.UFO.664 (ConS-EDC) in complex with bNAb PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ... | | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | | Deposit date: | 2021-03-03 | | Release date: | 2022-03-09 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
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7LXM
 | | Cryo-EM structure of ConM SOSIP.v7 (ConM) in complex with bNAb PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env glycoprotein gp120, ... | | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | | Deposit date: | 2021-03-04 | | Release date: | 2022-03-09 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
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7LXN
 | | Cryo-EM structure of EDC-crosslinked ConM SOSIP.v7 (ConM-EDC) in complex with bNAb PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env glycoprotein gp120, ... | | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | | Deposit date: | 2021-03-04 | | Release date: | 2022-03-09 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
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3H06
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3H03
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4NDC
 | | X-ray structure of a mutant (T188D) of calexcitin - a neuronal calcium-signalling protein | | Descriptor: | CALCIUM ION, Calexcitin | | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | | Deposit date: | 2013-10-25 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
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4NDD
 | | X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein | | Descriptor: | CALCIUM ION, Calexcitin | | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | | Deposit date: | 2013-10-25 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
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3HAU
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3HDK
 | | Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease | | Descriptor: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease | | Authors: | Torbeev, V.Y, Kent, S.B.H. | | Deposit date: | 2009-05-07 | | Release date: | 2010-04-28 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3VMG
 | | Reduced carbazole-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase | | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ashikawa, Y, Nojiri, H. | | Deposit date: | 2011-12-12 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012
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