4DVF
 
 | | Crystal structure of BACE1 with its inhibitor | | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | | Authors: | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | | Deposit date: | 2012-02-23 | | Release date: | 2013-01-16 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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4DL1
 | | Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ... | | Authors: | Vajdos, F, Varghese, A. | | Deposit date: | 2012-02-05 | | Release date: | 2012-03-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)).
Biochemistry, 51, 2012
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4E0O
 | | SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DK6
 | | Structure of Editosome protein | | Descriptor: | RNA-editing complex protein MP81, single domain antibody VHH | | Authors: | Park, Y.-J, Hol, W. | | Deposit date: | 2012-02-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2.
Nucleic Acids Res., 40, 2012
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4DI8
 | | CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 8.5 | | Descriptor: | (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-oxo-2H-pyran-4,6-dicarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ... | | Authors: | Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
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4DNQ
 | | Crystal Structure of DAD2 S96A mutant | | Descriptor: | DAD2 | | Authors: | Hamiaux, C. | | Deposit date: | 2012-02-08 | | Release date: | 2012-11-14 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | DAD2 Is an alpha/beta Hydrolase likely to Be Involved in the Perception of the Plant Branching Hormone, Strigolactone
Curr.Biol., 22, 2012
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4E7W
 | | Structure of GSK3 from Ustilago maydis | | Descriptor: | Glycogen Synthase Kinase 3 | | Authors: | Gruetter, C, Rauh, D. | | Deposit date: | 2012-03-19 | | Release date: | 2012-05-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals.
Acs Chem.Biol., 7, 2012
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4EGA
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320 | | Descriptor: | 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EGQ
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4E51
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4EG4
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289 | | Descriptor: | 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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6VE5
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2Y8O
 | | Crystal structure of human p38alpha complexed with a MAPK docking peptide | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Barkai, T, Garai, A, Toeroe, I, Remenyi, A. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
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6W3F
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3B8N
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3BJE
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6WM1
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2ZDT
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | Descriptor: | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 | | Authors: | Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. | | Deposit date: | 2007-11-27 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
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3AL3
 | | Crystal Structure of TopBP1 BRCT7/8-BACH1 peptide complex | | Descriptor: | DNA topoisomerase 2-binding protein 1, FORMIC ACID, Peptide of Fanconi anemia group J protein | | Authors: | Leung, C.C, Glover, J.N. | | Deposit date: | 2010-07-22 | | Release date: | 2010-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis of BACH1/FANCJ recognition by TopBP1 in DNA replication checkpoint control
J.Biol.Chem., 286, 2011
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3G90
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6WS5
 | | Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT | | Descriptor: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... | | Authors: | McPherson, K.S, Korzhnev, D.M. | | Deposit date: | 2020-04-30 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
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3AST
 | | Crystal structure of P domain Q389N mutant from Norovirus Funabashi258 stain in the complex with Lewis-b | | Descriptor: | Capsid protein, P-NITROPHENOL, SODIUM ION, ... | | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | | Deposit date: | 2010-12-17 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus
J.Virol., 86, 2012
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6W3D
 | | Rd1NTF2_05 with long sheet | | Descriptor: | Rd1NTF2_05 | | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3G
 | | Rd1NTF2_04 with long sheet | | Descriptor: | Rd1NTF2_04 | | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WS0
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