5A0B
 
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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7SHU
 | | IgE-Fc in complex with omalizumab variant C02 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ... | | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
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4PV7
 | | Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor | | Descriptor: | 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form | | Authors: | Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z. | | Deposit date: | 2014-03-15 | | Release date: | 2015-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold
Chin.Chem.Lett., 25, 2014
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6REY
 | | Human 20S-PA200 Proteasome Complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, Proteasome subunit alpha type-1, ... | | Authors: | Toste Rego, A, da Fonseca, P.C.A. | | Deposit date: | 2019-04-12 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Characterization of Fully Recombinant Human 20S and 20S-PA200 Proteasome Complexes.
Mol.Cell, 76, 2019
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5SXI
 | | Crystal Structure of PI3Kalpha in complex with fragment 13 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, trans-cyclohexane-1,4-diol | | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | Deposit date: | 2016-08-09 | | Release date: | 2017-02-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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9GE2
 | | Structure of GPR55 in complex with G13 and synthetic agonist ML184 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N,N-dimethyl-4-pyrrolidin-1-yl-benzenesulfonamide, CHOLESTEROL, ... | | Authors: | Claff, T, Ebenhoch, R, Weichert, D. | | Deposit date: | 2024-08-06 | | Release date: | 2025-03-05 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Structural basis for lipid-mediated activation of G protein-coupled receptor GPR55.
Nat Commun, 16, 2025
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4P8J
 | | Structure of ribB | | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL | | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | | Deposit date: | 2014-03-31 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
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2AET
 | | R304K trichodiene synthase: Complex with Mg, pyrophosphate, and (4S)-7-azabisabolene | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-23 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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4J7R
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7CI0
 | | Microbial Hormone-sensitive lipase E53 mutant S162A | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Yang, X, Li, Z, Xu, X, Li, J. | | Deposit date: | 2020-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
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5E6N
 | | Crystal structure of C. elegans LGG-2 | | Descriptor: | Protein lgg-2 | | Authors: | Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W. | | Deposit date: | 2015-10-10 | | Release date: | 2016-01-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
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5YPJ
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209L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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2FEF
 | | The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, hypothetical protein PA2201 | | Authors: | Cymborowski, M.T, Chruszcz, M, Wang, S, Shumilin, I, Kudritska, M, Evdokimova, E, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-15 | | Release date: | 2006-01-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa
To be Published
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214L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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2X9H
 | | CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE | | Descriptor: | 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL, ADP METAVANADATE, MAGNESIUM ION, ... | | Authors: | Selvadurai, J, Kirst, J, Knoelker, H.J, Manstein, D.J. | | Deposit date: | 2010-03-19 | | Release date: | 2011-05-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole
To be Published
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1PMV
 | | The structure of JNK3 in complex with a dihydroanthrapyrazole inhibitor | | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, Mitogen-activated protein kinase 10 | | Authors: | Scapin, G, Patel, S.B, Lisnock, J, Becker, J.W, LoGrasso, P.V. | | Deposit date: | 2003-06-11 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity
Chem.Biol., 10, 2003
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218L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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4AKK
 | | Structure of the NasR transcription antiterminator | | Descriptor: | 1,2-ETHANEDIOL, NITRATE REGULATORY PROTEIN | | Authors: | Boudes, M, Lazar, N, Graille, M, Durand, D, Gaidenko, T.A, Stewart, V, van Tilbeurgh, H. | | Deposit date: | 2012-02-24 | | Release date: | 2012-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | The Structure of the Nasr Transcription Antiterminator Reveals a One-Component System with a Nit Nitrate Receptor Coupled to an Antar RNA-Binding Effector.
Mol.Microbiol., 85, 2012
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6L0U
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7LA1
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4J9O
 | | Human DNA polymerase eta-DNA ternary complex: primer extension after a T:G mispair | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*AP*CP*GP*TP*CP*AP*TP*G)-3'), ... | | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2013-02-16 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3FM8
 | | Crystal structure of full length centaurin alpha-1 bound with the FHA domain of KIF13B (CAPRI target) | | Descriptor: | Centaurin-alpha-1, Kinesin-like protein KIF13B, SULFATE ION, ... | | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-19 | | Release date: | 2009-08-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin alpha1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5J9Z
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | | Descriptor: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | Authors: | Becker, C, Engel, J, Rauh, D. | | Deposit date: | 2016-04-11 | | Release date: | 2016-08-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7GAR
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z820676436 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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