6HD7
 
 | | Cryo-EM structure of the ribosome-NatA complex | | Descriptor: | 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, 5.8S rRNA, 5S rRNA, ... | | Authors: | Knorr, A.G, Becker, T, Beckmann, R. | | Deposit date: | 2018-08-17 | | Release date: | 2018-12-19 | | Last modified: | 2019-01-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Ribosome-NatA architecture reveals that rRNA expansion segments coordinate N-terminal acetylation.
Nat. Struct. Mol. Biol., 26, 2019
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1AYV
 | | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR | | Descriptor: | CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE | | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | | Deposit date: | 1997-11-10 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
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6HRX
 | | EthR2 in complex with compound 2 (BDM72201) | | Descriptor: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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2XAH
 | | Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine | | Descriptor: | 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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1AYU
 | | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR | | Descriptor: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K | | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | | Deposit date: | 1997-11-10 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
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6HJM
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6HD5
 | | Cryo-EM structure of the ribosome-NatA complex | | Descriptor: | N-alpha-acetyltransferase NAT5, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1 | | Authors: | Knorr, A.G, Becker, T, Beckmann, R. | | Deposit date: | 2018-08-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Ribosome-NatA architecture reveals that rRNA expansion segments coordinate N-terminal acetylation.
Nat. Struct. Mol. Biol., 26, 2019
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2XF6
 | | Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone. | | Descriptor: | GP23.1 | | Authors: | Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C. | | Deposit date: | 2010-05-20 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
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2XF7
 | | Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone. High-resolution structure. | | Descriptor: | GP23.1 | | Authors: | Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C. | | Deposit date: | 2010-05-20 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
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2XF5
 | | Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone. | | Descriptor: | GP23.1 | | Authors: | Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C. | | Deposit date: | 2010-05-20 | | Release date: | 2010-08-11 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
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5D48
 | | Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid | | Descriptor: | 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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1R42
 | | Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ... | | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | | Deposit date: | 2003-10-07 | | Release date: | 2004-02-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
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4WWQ
 | | Apo structure of the Grb7 SH2 domain | | Descriptor: | Growth factor receptor-bound protein 7, MALONIC ACID | | Authors: | Watson, G.M, Ambaye, N.D, Wilce, M.C, Wilce, J.A. | | Deposit date: | 2014-11-12 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
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2STD
 | | SCYTALONE DEHYDRATASE COMPLEXED WITH TIGHT-BINDING INHIBITOR CARPROPAMID | | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, SCYTALONE DEHYDRATASE, SULFATE ION | | Authors: | Nakasako, M, Motoyama, T, Kurahashi, Y, Yamaguchi, I. | | Deposit date: | 1997-12-21 | | Release date: | 1999-02-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cryogenic X-ray crystal structure analysis for the complex of scytalone dehydratase of a rice blast fungus and its tight-binding inhibitor, carpropamid: the structural basis of tight-binding inhibition.
Biochemistry, 37, 1998
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6HP9
 | | Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor | | Descriptor: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1 | | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-19 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
J.Med.Chem., 62, 2019
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2XBV
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2XC8
 | | Crystal structure of the gene 22 product of the Bacillus subtilis SPP1 phage | | Descriptor: | GENE 22 PRODUCT | | Authors: | Veesler, D, Blangy, S, Tavares, P, Campanacci, V, Cambillau, C. | | Deposit date: | 2010-04-19 | | Release date: | 2010-06-09 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure of Bacillus Subtilis Spp1 Phage Gp22 Shares Fold Similarity with a Domain of Lactococcal Phage P2 Rbp.
Protein Sci., 19, 2010
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4YET
 | | X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD | | Descriptor: | FE (III) ION, Superoxide dismutase | | Authors: | Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2015-02-24 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr.,Sect.F, 71, 2015
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6I4V
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5AA4
 | | Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide | | Descriptor: | MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
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7XUQ
 | | Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole | | Descriptor: | Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | | Deposit date: | 2022-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
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6I65
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6K4Q
 | | Crystal structure of xCas9 in complex with sgRNA and DNA (CGG PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*CP*GP*GP*TP*AP*TP*TP*G)-3'), ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-26 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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4MTJ
 | | Structure of the b12-independent glycerol dehydratase with 1,2-propanediol bound | | Descriptor: | B12-independent glycerol dehydratase, S-1,2-PROPANEDIOL | | Authors: | LaMattina, J, Wright, A.V, Demick, J, Soucaille, P, Lanzilotta, W.N. | | Deposit date: | 2013-09-19 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | When Computational Chemistry and Modern Software Get It Right; New Insight Into the Mechanism of a Glycyl Radical Enzyme
To be Published
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8IBH
 | | Cep57 C-terminal domain | | Descriptor: | Centrosomal protein of 57 kDa | | Authors: | Chen, T, Yeh, H.-W, Cheng, H.-C. | | Deposit date: | 2023-02-10 | | Release date: | 2024-02-14 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cep57 regulates human centrosomes through multivalent interactions.
Proc.Natl.Acad.Sci.USA, 121, 2024
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