6SMN
 
 | | A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with methotrexate | | Descriptor: | 1,2-ETHANEDIOL, METHOTREXATE, SERINE, ... | | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | | Deposit date: | 2019-08-22 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
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5FM5
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6SMR
 | | A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ... | | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | | Deposit date: | 2019-08-22 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
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1H4A
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8OEG
 | | PDE4B bound to MAPI compound 92a | | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ... | | Authors: | Rizzi, A, Armani, E. | | Deposit date: | 2023-03-10 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
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2LOV
 | | AR55 solubilised in LPPG micelles | | Descriptor: | Apelin receptor | | Authors: | Langelaan, D.N, Rainey, J.K. | | Deposit date: | 2012-01-27 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments.
J Phys Chem Lett, 8, 2017
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2LOT
 | | AR55 solubilised in SDS micelles | | Descriptor: | Apelin receptor | | Authors: | Langelaan, D.N, Rainey, J.K. | | Deposit date: | 2012-01-27 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments.
J Phys Chem Lett, 8, 2017
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3RE0
 | | Crystal structure of human apo Cu,Zn superoxide dismutase (SOD1) complexed with cisplatin | | Descriptor: | Cisplatin, Superoxide dismutase [Cu-Zn] | | Authors: | Bertini, I, Blazevits, O, Calderone, V, Jaifei, M, Vieru, M, Amori, I, Cozzolino, M, Carri, M.T, Banci, L. | | Deposit date: | 2011-04-02 | | Release date: | 2012-04-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Interaction of cisplatin with human superoxide dismutase.
J.Am.Chem.Soc., 134, 2012
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2LOW
 | | Solution structure of AR55 in 50% HFIP | | Descriptor: | Apelin receptor | | Authors: | Langelaan, D.N, Rainey, J.K. | | Deposit date: | 2012-01-27 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments.
J Phys Chem Lett, 8, 2017
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1HK0
 | | Human GammaD Crystallin Structure at 1.25 A Resolution | | Descriptor: | Gamma-crystallin D | | Authors: | Basak, A.K, Slingsby, C. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | High-Resolution X-Ray Crystal Structures of Human Gammad Crystallin (1.25A) and the R58H Mutant (1.15A) Associated with Aculeiform Cataract
J.Mol.Biol., 328, 2003
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2BIC
 | | The solution structure of the recombinant elicitor protein PcF from the oomycete pathogen P. cactorum | | Descriptor: | PHYTOTOXIC PROTEIN PCF | | Authors: | Nicastro, G, Orsomando, G, Desario, F, Ferrari, E, Manconi, L, Spisni, A, Ruggieri, S. | | Deposit date: | 2005-01-20 | | Release date: | 2006-06-28 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Phytotoxic Protein Pcf: The First Characterized Member of the Phytophthora Pcf Toxin Family.
Protein Sci., 18, 2009
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4XJX
 | | STRUCTURE OF MUTANT (E165H) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HsdR, MAGNESIUM ION | | Authors: | Baikova, T, Stsiapanava, A, Moche, M, Degtjarik, O, Kuta-Smatanova, I, Ettrich, R. | | Deposit date: | 2015-01-09 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | STRUCTURE OF MUTANT (E165H) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP
To Be Published
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3MO2
 | | human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67 | | Descriptor: | 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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3MO0
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11 | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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3MO5
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72 | | Descriptor: | 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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2A4Q
 | | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
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2IEI
 | | Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | | Authors: | Birch, A.M, Kenny, P.W, Oikonomakos, N.G, Otterbein, L, Schofield, P, Whittamore, P.R.O, Whalley, D.P, Rowsell, S, Pauptit, R, Pannifer, A, Breed, J, Minshull, C. | | Deposit date: | 2006-09-19 | | Release date: | 2006-12-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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3RS1
 | | Mouse C-type lectin-related protein Clrg | | Descriptor: | C-type lectin domain family 2 member I, CHLORIDE ION | | Authors: | Skalova, T, Dohnalek, J, Duskova, J, Stepankova, A, Koval, T, Hasek, J, Kotynkova, K, Vanek, O, Bezouska, K. | | Deposit date: | 2011-05-02 | | Release date: | 2012-05-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties.
J.Immunol., 189, 2012
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3RNX
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2IEG
 | | Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone | | Descriptor: | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Glycogen phosphorylase, ... | | Authors: | Birch, A.M, Kenny, P.W, Oikonomakos, N.G, Otterbein, L, Schofield, P, Whittamore, P.R.O, Whalley, D.P, Rowsell, S, Pauptit, R, Pannifer, A, Breed, J, Minshull, C. | | Deposit date: | 2006-09-19 | | Release date: | 2006-12-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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7UIB
 | | Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ... | | Authors: | Liu, Z, Jin, R, Chen, P. | | Deposit date: | 2022-03-29 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
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7UIA
 | | Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, Z, Jin, R, Chen, P. | | Deposit date: | 2022-03-28 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
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7UIE
 | | Crystal structure of HcE-JLE-G6 | | Descriptor: | Botulinum neurotoxin E heavy chain, JLE-G6 | | Authors: | Jin, R, Lam, K. | | Deposit date: | 2022-03-29 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
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6SJT
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6SKW
 | | Crystal structure of the Legionella pneumophila type II secretion system substrate NttE | | Descriptor: | 1,2-ETHANEDIOL, NttE | | Authors: | Portlock, T.J, Rehman, S, Garnett, J.A. | | Deposit date: | 2019-08-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
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