5EWZ
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![BU of 5ewz by Molmil](/molmil-images/mine/5ewz) | Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2 | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2015-11-23 | Release date: | 2016-05-04 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface. Chemmedchem, 11, 2016
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5BRO
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![BU of 5bro by Molmil](/molmil-images/mine/5bro) | Crystal structure of modified HexB (modB) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... | Authors: | Kitakaze, K, Maita, N, Itoh, K. | Deposit date: | 2015-06-01 | Release date: | 2016-05-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model. J.Clin.Invest., 126, 2016
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5EXA
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![BU of 5exa by Molmil](/molmil-images/mine/5exa) | Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Fusicoccin A-THF derivative, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2015-11-23 | Release date: | 2016-05-04 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface. Chemmedchem, 11, 2016
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5WI6
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![BU of 5wi6 by Molmil](/molmil-images/mine/5wi6) | Human beta-1 tryptase mutant Ile99Cys | Descriptor: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1 | Authors: | Eigenbrot, C, Maun, H.R. | Deposit date: | 2017-07-18 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer. J. Biol. Chem., 293, 2018
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5IXD
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5IXI
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4G3C
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8J6N
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![BU of 8j6n by Molmil](/molmil-images/mine/8j6n) | Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | Descriptor: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | Authors: | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | Deposit date: | 2023-04-26 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation. Sci Rep, 13, 2023
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4PO6
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5ZEQ
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![BU of 5zeq by Molmil](/molmil-images/mine/5zeq) | Carboxypeptidase B in complex with DD28 | Descriptor: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | Authors: | Itoh, T, Yoshimoto, N, Yamamoto, K. | Deposit date: | 2018-02-27 | Release date: | 2018-06-20 | Last modified: | 2018-07-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the selective inhibition of activated thrombin-activatable fibrinolysis inhibitor (TAFIa) by a selenium-containing inhibitor with chloro-aminopyridine as a basic group Bioorg. Med. Chem. Lett., 28, 2018
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7C2G
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7C2H
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7CQF
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7C2F
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![BU of 7c2f by Molmil](/molmil-images/mine/7c2f) | Crystal Structure of the Thorarchaeota ProGel/rabbit actin complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Robinson, R.C, Akil, C. | Deposit date: | 2020-05-07 | Release date: | 2020-08-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Insights into the evolution of regulated actin dynamics via characterization of primitive gelsolin/cofilin proteins from Asgard archaea Proc.Natl.Acad.Sci.USA, 117, 2020
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7Z3W
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![BU of 7z3w by Molmil](/molmil-images/mine/7z3w) | Crystal structure of the AAL160 Fab | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain | Authors: | Rondeau, J.M, Lehmann, S. | Deposit date: | 2022-03-02 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A". Commun Biol, 6, 2023
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7Z4T
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![BU of 7z4t by Molmil](/molmil-images/mine/7z4t) | AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA | Descriptor: | AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta | Authors: | Rondeau, J.M, Lehmann, S. | Deposit date: | 2022-03-04 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A". Commun Biol, 6, 2023
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7Z2M
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6VVU
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![BU of 6vvu by Molmil](/molmil-images/mine/6vvu) | Anti-Tryptase fab E104.v1 bound to tryptase | Descriptor: | CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ... | Authors: | Ultsch, M, Koerber, J.T. | Deposit date: | 2020-02-18 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge. Nat Commun, 11, 2020
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3DOG
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![BU of 3dog by Molmil](/molmil-images/mine/3dog) | Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 | Descriptor: | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Endicott, J. | Deposit date: | 2008-07-04 | Release date: | 2008-09-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine. Mol.Cancer Ther., 7, 2008
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6BPL
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![BU of 6bpl by Molmil](/molmil-images/mine/6bpl) | E. coli MsbA in complex with LPS and inhibitor G907 | Descriptor: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Ho, H, Koth, C.M, Payandeh, J. | Deposit date: | 2017-11-23 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature, 557, 2018
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6T5I
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![BU of 6t5i by Molmil](/molmil-images/mine/6t5i) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | Deposit date: | 2019-10-16 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
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6BPP
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![BU of 6bpp by Molmil](/molmil-images/mine/6bpp) | E. coli MsbA in complex with LPS and inhibitor G092 | Descriptor: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ... | Authors: | Ho, H, Koth, C.M, Payandeh, J. | Deposit date: | 2017-11-24 | Release date: | 2018-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature, 557, 2018
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7WHG
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7WHF
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![BU of 7whf by Molmil](/molmil-images/mine/7whf) | Heimdallarchaeota gelsolin (2DGel) bound to rabbit actin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Robinson, R.C, Akil, C. | Deposit date: | 2021-12-30 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical evidence for the emergence of a calcium-regulated actin cytoskeleton prior to eukaryogenesis Commun Biol, 5, 2022
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3DDQ
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![BU of 3ddq by Molmil](/molmil-images/mine/3ddq) | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | Authors: | Echalier, A, Endicott, J.A. | Deposit date: | 2008-06-06 | Release date: | 2008-07-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene, 27, 2008
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