3BX8
 
 | | Engineered Human Lipocalin 2 (LCN2), apo-form | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL | | Authors: | Schonfeld, D.L, Chatwell, L, Skerra, A. | | Deposit date: | 2008-01-11 | | Release date: | 2009-01-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
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5DZV
 | | Protocadherin alpha 7 extracellular cadherin domains 1-5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ... | | Authors: | Goodman, K.M, Bahna, F, Honig, B, Shapiro, L. | | Deposit date: | 2015-09-26 | | Release date: | 2016-05-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
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8BY5
 | | C. elegans TOFU-6 eTUDOR TOFU-1 peptide complex | | Descriptor: | CHLORIDE ION, Embryonic developmental protein tofu-6, GLYCEROL, ... | | Authors: | Ketting, R, Falk, S. | | Deposit date: | 2022-12-12 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | piRNA processing by a trimeric Schlafen-domain nuclease.
Nature, 622, 2023
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6HG4
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6HGA
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6HG9
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6HGU
 | | Crystal Structure of an anti-APP-tag Fab | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ... | | Authors: | Rondeau, J.M, Goepfert, A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
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6HGO
 | | Crystal Structure of human IL-17F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ... | | Authors: | Rondeau, J.M, Goepfert, A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
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2KMU
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2K5O
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7N4S
 | | Bruton's tyrosine kinase in complex with compound 65 | | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-06-04 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4R
 | | Bruton's tyrosine kinase in complex with compound 21 | | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-06-04 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | Descriptor: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-06-04 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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2N2J
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2AMV
 | | THE STRUCTURE OF GLYCOGEN PHOSPHORYLASE B WITH AN ALKYL-DIHYDROPYRIDINE-DICARBOXYLIC ACID | | Descriptor: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | | Authors: | Zographos, S.E, Oikonomakos, N.G, Johnson, L.N. | | Deposit date: | 1998-10-13 | | Release date: | 1998-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of glycogen phosphorylase b with an alkyldihydropyridine-dicarboxylic acid compound, a novel and potent inhibitor.
Structure, 5, 1997
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7OSE
 | | cytochrome bd-II type oxidase with bound aurachin D | | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | | Deposit date: | 2021-06-08 | | Release date: | 2021-11-17 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D.
Nat Commun, 12, 2021
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3ZOJ
 | | High-resolution structure of Pichia Pastoris aquaporin Aqy1 at 0.88 A | | Descriptor: | AQUAPORIN, CHLORIDE ION, octyl beta-D-glucopyranoside | | Authors: | Kosinska-Eriksson, U, Fischer, G, Friemann, R, Enkavi, G, Tajkhorshid, E, Neutze, R. | | Deposit date: | 2013-02-21 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions
Science, 340, 2013
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5NTP
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5NTQ
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5NTK
 | | Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds | | Descriptor: | Nuclear receptor ROR-gamma, [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate | | Authors: | Kallen, J. | | Deposit date: | 2017-04-28 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
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5NTW
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5NU1
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6G05
 | | RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A | | Descriptor: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
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6G07
 | | RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide | | Authors: | Kallen, J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
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6FZU
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