8VKU
 
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4BGL
 | | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus | | Descriptor: | FE (III) ION, GLYCEROL, SUPEROXIDE REDUCTASE | | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | | Deposit date: | 2013-03-27 | | Release date: | 2014-04-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction
Acta Crystallogr.,Sect.D, 71, 2015
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8VLS
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VOV
 | | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3ZRG
 | | Crystal structure of RxLR effector PexRD2 from Phytophthora infestans | | Descriptor: | BROMIDE ION, PEXRD2 FAMILY SECRETED RXLR EFFECTOR PEPTIDE, PUTATIVE | | Authors: | King, S.R.F, Boutemy, L.S, Win, J, Hughes, R.K, Clarke, T.A, Blumenschein, T.M.A, Kamoun, S, Banfield, M.J. | | Deposit date: | 2011-06-16 | | Release date: | 2011-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of Phytophthora Rxlr Effector Proteins: A Conserved But Adaptable Fold Underpins Functional Diversity.
J.Biol.Chem., 286, 2011
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3ZGK
 | | NMR solution structure of the RXLR effector AVR3a11 from Phytophthora Capsici | | Descriptor: | AVR3A11 | | Authors: | Tolchard, J, Chambers, V.S, Boutemy, L.S, Gathercole, R.L, Banfield, M.J, Blumenschein, T.M. | | Deposit date: | 2012-12-18 | | Release date: | 2014-01-08 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of the Avr3A11 from Phytophthora Capsi
To be Published
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3ZEH
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8DIW
 | | Crystal structure of NavAb E96P as a basis for the human Nav1.7 Inherited Erythromelalgia S211P mutation | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | | Authors: | Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | | Deposit date: | 2022-06-29 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis for severe pain caused by mutations in the voltage sensors of sodium channel NaV1.7.
J.Gen.Physiol., 155, 2023
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8DIV
 | | Crystal structure of NavAb I22V as a basis for the human Nav1.7 Inherited Erythromelalgia I136V mutation | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein, ... | | Authors: | Wisedchaisri, G, Gamal El-Din, T.M, Powell, N.M, Zheng, N, Catterall, W.A. | | Deposit date: | 2022-06-29 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural basis for severe pain caused by mutations in the voltage sensors of sodium channel NaV1.7.
J.Gen.Physiol., 155, 2023
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8DIX
 | | Structure of NavAb L98R as a basis for the human Nav1.7 Inherited Erythromelalgia L823R mutation | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein | | Authors: | Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | | Deposit date: | 2022-06-29 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for severe pain caused by mutations in the voltage sensors of sodium channel NaV1.7.
J.Gen.Physiol., 155, 2023
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8DIY
 | | Crystal structure of NavAb L101S as a basis for the human Nav1.7 Inherited Erythromelalgia F216S mutation | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | | Authors: | Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | | Deposit date: | 2022-06-29 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis for severe pain caused by mutations in the voltage sensors of sodium channel NaV1.7.
J.Gen.Physiol., 155, 2023
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8VIB
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8VKR
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8VKQ
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4C4U
 | | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant in the reduced form | | Descriptor: | FE (II) ION, SUPEROXIDE REDUCTASE | | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | | Deposit date: | 2013-09-09 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.583 Å) | | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
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9ATX
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4DMX
 | | Cathepsin K inhibitor | | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-11 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
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4DMY
 | | Cathepsin K inhibitor | | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-11 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
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4DBW
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid | | Authors: | Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
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3V6Y
 | | crystal structure of FBF-2 in complex with a mutant gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*AP*CP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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3UZW
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3UZY
 | | Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and 5beta-dihydrotestosterone | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, CHLORIDE ION, ... | | Authors: | Chen, M, Christianson, D.W, Penning, T.M. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.832 Å) | | Cite: | Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
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4EKW
 | | Crystal structure of the NavAb voltage-gated sodium channel (wild-type, 3.2 A) | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, PHOSPHATE ION | | Authors: | Payandeh, J, Gamal El-Din, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2012-04-10 | | Release date: | 2012-05-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Crystal structure of a voltage-gated sodium channel in two potentially inactivated states.
Nature, 486, 2012
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3ZR5
 | | STRUCTURE OF GALACTOCEREBROSIDASE FROM MOUSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Deane, J.E, Graham, S.C, Kim, N.N, Stein, P.E, Mcnair, R, Cachon-Gonzalez, M.B, Cox, T.M, Read, R.J. | | Deposit date: | 2011-06-14 | | Release date: | 2011-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights Into Krabbe Disease from Structures of Galactocerebrosidase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4DN8
 | | Structure of porcine surfactant protein D neck and carbohydrate recognition domain complexed with mannose | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, beta-D-mannopyranose | | Authors: | van Eijk, M, Rynkiewicz, M.J, White, M.R, Hartshorn, K.L, Zou, X, Schulten, K, Luo, D, Crouch, E.C, Cafarella, T.M, Head, J.F, Haagsman, H.P, Seaton, B.A. | | Deposit date: | 2012-02-08 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Unique Sugar-binding Site Mediates the Distinct Anti-influenza Activity of Pig Surfactant Protein D.
J.Biol.Chem., 287, 2012
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