5SJR
 
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(c1ccc(cc1)c2ccccc2OCC)nc3ccc(cc3c4N[C@@H](C(O)=O)C)F)C#N, micromolar IC50=0.0015665 | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5C6C
 | | PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ... | | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | | Deposit date: | 2015-06-22 | | Release date: | 2016-01-20 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
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5SGN
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nc(nc1CCc3nn2c(nc(c2C)C)c(c3)C(F)(F)F)N4CCCC4)C, micromolar IC50=0.164550 | | Descriptor: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5SH3
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn2c1nc(c2C)C)CCc3nc(nn3C)N4CCCC4)[S](C)(=O)=O, micromolar IC50=0.041332 | | Descriptor: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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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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241L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | Deposit date: | 1997-10-22 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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2VUV
 | | Crystal structure of Codakine at 1.3A resolution | | Descriptor: | CALCIUM ION, CITRIC ACID, CODAKINE, ... | | Authors: | Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A. | | Deposit date: | 2008-05-30 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
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4ANV
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | Descriptor: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Foster, P.G, Lougheed, J.C. | | Deposit date: | 2012-03-22 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
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249L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | Deposit date: | 1997-10-22 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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5SHS
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c34c(n(Cc1cccc2c1cccc2)nn3)ncnc4N5CCCCC5, micromolar IC50=0.183 | | Descriptor: | 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5VW4
 | | Nicotinamide soak of Y316S mutant of corn root ferredoxin:NADP+ reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | | Deposit date: | 2017-05-21 | | Release date: | 2017-08-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
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4Q2P
 | | NHERF3 PDZ2 in Complex with a Phage-Derived Peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3 | | Authors: | Appleton, B.A, Wiesmann, C. | | Deposit date: | 2014-04-09 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
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5W2C
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4QKM
 | | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2014-06-06 | | Release date: | 2015-11-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3IMC
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol | | Descriptor: | 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ... | | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-10 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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5SIB
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C(F)(F)F)CCc3nc(nn3C)N4CCCC4, micromolar IC50=0.012425 | | Descriptor: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5SJO
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3ccc(cc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.041355 | | Descriptor: | 3-[1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Rogers-Evans, M, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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9I4Z
 | | Crystal structure of Thomasclavelia ramosa IgA peptidase (IgAse) active site mutant (E330-N876) | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, IgA protease, ... | | Authors: | Ramirez-Larrota, J.S, Eckhard, U, Gomis-Ruth, F.X. | | Deposit date: | 2025-01-27 | | Release date: | 2025-06-25 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical and structural characterization of the human gut microbiome metallopeptidase IgAse provides insight into its unique specificity for the Fab' region of IgA1 and IgA2.
Plos Pathog., 21, 2025
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4J3T
 | | Crystal structure of barley Limit dextrinase co-crystallized with 25mM maltotetraose | | Descriptor: | CALCIUM ION, CHLORIDE ION, IODIDE ION, ... | | Authors: | Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A. | | Deposit date: | 2013-02-06 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
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4Q4P
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | | Descriptor: | 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-04-15 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
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248L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | Deposit date: | 1997-10-22 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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2W59
 | | STRUCTURE OF AN AVIAN IGY-FC 3-4 FRAGMENT | | Descriptor: | GLYCEROL, IGY FCU3-4, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Fabiane, S.M, Taylor, A.I, Sutton, B.J, Calvert, R.A. | | Deposit date: | 2008-12-08 | | Release date: | 2009-01-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Crystal Structure of an Avian Igy-Fc Fragment Reveals Conservation with Both Mammalian Igg and Ige.
Biochemistry, 48, 2009
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4A3H
 | | 2',4' DINITROPHENYL-2-DEOXY-2-FLURO-B-D-CELLOBIOSIDE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS AT 1.6 A RESOLUTION | | Descriptor: | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE, PROTEIN (ENDOGLUCANASE) | | Authors: | Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-22 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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236L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | Deposit date: | 1997-10-17 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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244L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | Deposit date: | 1997-10-23 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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