5D8U
 
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5D4G
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-07 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5DES
 | | 2009 H1N1 PA endonuclease domain | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-25 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5CZN
 | | 2009 H1N1 PA endonuclease mutant E119D | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-31 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5D42
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-07 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5DEB
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-25 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5DBS
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-21 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5D9J
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1XCF
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1XC4
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6VFO
 | | Solution structure of the PHD of mouse UHRF1 (NP95) | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | | Authors: | Lemak, A, Houliston, S, Duan, S, Arrowsmith, C.H. | | Deposit date: | 2020-01-06 | | Release date: | 2020-06-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1.
Nucleic Acids Res., 48, 2020
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6VEE
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4DCP
 | | Crystal Structure of caspase 3, L168F mutant | | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | | Deposit date: | 2012-01-18 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
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8AX5
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | | Descriptor: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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8AX6
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | | Descriptor: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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8AX7
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | | Descriptor: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-12-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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4DCO
 | | Crystal Structure of caspase 3, L168Y mutant | | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | | Deposit date: | 2012-01-18 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
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4DCJ
 | | Crystal structure of caspase 3, L168D mutant | | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | | Deposit date: | 2012-01-17 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
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6ZFZ
 | | Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6ZG9
 | | Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6ZG4
 | | Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | | Descriptor: | Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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1BKA
 | | OXALATE-SUBSTITUTED DIFERRIC LACTOFERRIN | | Descriptor: | FE (III) ION, LACTOFERRIN, OXALATE ION | | Authors: | Baker, H.M, Smith, C.A, Baker, E.N. | | Deposit date: | 1996-04-15 | | Release date: | 1996-11-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anion binding by transferrins: importance of second-shell effects revealed by the crystal structure of oxalate-substituted diferric lactoferrin.
Biochemistry, 35, 1996
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5GLT
 | | Tl-gal with LNT | | Descriptor: | Galectin, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Jang, S.B, Hwang, E.Y. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
J. Biol. Chem., 291, 2016
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5GM0
 | | Tl-gal with lactose | | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin | | Authors: | Hwang, E.Y. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
J. Biol. Chem., 291, 2016
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5GLV
 | | Tl-gal | | Descriptor: | galectin | | Authors: | Jang, S.B, Hwang, E.Y. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
J. Biol. Chem., 291, 2016
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