8SOS
 
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6FIN
 | | DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8% | | Descriptor: | 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-19 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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6FIQ
 | | DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8% | | Descriptor: | 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1 | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-19 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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6FEX
 | | DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ... | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-03 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.291 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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4XEB
 | | The structure of P. funicolosum Cel7A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2014-12-23 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering enhanced cellobiohydrolase activity
Nat Commun, 9(1), 2018
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4ZJR
 | | RORgamma in complex with inverse agonist 48 | | Descriptor: | 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Marcotte, D.J. | | Deposit date: | 2015-04-29 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
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6FQV
 | | 2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, DNA gyrase subunit B,DNA gyrase subunit B, ... | | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
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5KYA
 | | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | | Descriptor: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | | Authors: | Chen, G, McKeever, B.M. | | Deposit date: | 2016-07-21 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
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6SBT
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution | | Descriptor: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Moellerud, S, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2019-07-22 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
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4Z8N
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4ZOM
 | | RORgamma in complex with inverse agonist 4j. | | Descriptor: | N-{4-[3-(acetylamino)-1-(propan-2-yl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide, Nuclear receptor ROR-gamma | | Authors: | Marcotte, D.J. | | Deposit date: | 2015-05-06 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery of novel pyrazole-containing benzamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
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8FOF
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5E8B
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7EOY
 | | Engineered Hepatitis B virus core antigen T=3 | | Descriptor: | Capsid protein,Immunoglobulin G-binding protein A | | Authors: | Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W. | | Deposit date: | 2021-04-24 | | Release date: | 2021-09-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
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7FID
 | | Processive cleavage of substrate at individual proteolytic active sites of the Lon proteasecomplex (conformation 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | | Deposit date: | 2021-07-31 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex.
Sci Adv, 7, 2021
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7FIZ
 | | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 3) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | | Deposit date: | 2021-08-01 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex.
Sci Adv, 7, 2021
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7FIE
 | | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | | Deposit date: | 2021-07-31 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex.
Sci Adv, 7, 2021
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5BMI
 | | Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form A | | Descriptor: | Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Cunningham, T.C, Horne, W.S, Saxena, S. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Protein Sci., 25, 2016
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7L7F
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1U0H
 | | STRUCTURAL BASIS FOR THE INHIBITION OF MAMMALIAN ADENYLYL CYCLASE BY MANT-GTP | | Descriptor: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ... | | Authors: | Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R. | | Deposit date: | 2004-07-13 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate.
J.Biol.Chem., 280, 2005
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8CSE
 | | WbbB in complex with alpha-Rha-(1-3)-beta-GlcNAc acceptor | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, N-(8-hydroxyoctyl)-4-methoxybenzamide, N-acetyl glucosaminyl transferase, ... | | Authors: | Forrester, T.J.B, Kimber, M.S. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
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8CSF
 | | WbbB D232C-Kdo adduct + alpha-Rha(1,3)GlcNAc ternary complex | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ... | | Authors: | Forrester, T.J.B, Kimber, M.S. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
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8CSD
 | | WbbB D232C Kdo adduct | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Forrester, T.J.B, Kimber, M.S. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
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8CSB
 | | WbbB D232N in complex with CMP-beta-Kdo | | Descriptor: | CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ... | | Authors: | Forrester, T.J.B, Kimber, M.S. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
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8CSC
 | | WbbB D232N-Kdo adduct | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Forrester, T.J.B, Kimber, M.S. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
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