4KYY
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1O46
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![BU of 1o46 by Molmil](/molmil-images/mine/1o46) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395. | Descriptor: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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6EUR
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![BU of 6eur by Molmil](/molmil-images/mine/6eur) | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Fe(II)/alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, GLYCEROL, ... | Authors: | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-10-31 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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2WFV
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![BU of 2wfv by Molmil](/molmil-images/mine/2wfv) | Crystal structure of DILP5 variant C4 | Descriptor: | PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN | Authors: | Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P. | Deposit date: | 2009-04-15 | Release date: | 2010-05-26 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation. J.Biol.Chem., 286, 2011
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5D2I
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6SQY
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![BU of 6sqy by Molmil](/molmil-images/mine/6sqy) | Mouse dCTPase in complex with dCMP | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1 | Authors: | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | Deposit date: | 2019-09-04 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products. J.Mol.Biol., 432, 2020
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5T6M
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![BU of 5t6m by Molmil](/molmil-images/mine/5t6m) | Structure of the tryptophan synthase b-subunit from Pyroccus furiosus with b-methyltryptophan non-covalently bound | Descriptor: | (betaS)-beta-methyl-L-tryptophan, PHOSPHATE ION, SODIUM ION, ... | Authors: | Buller, A.R, van Roye, P, Arnold, F.H. | Deposit date: | 2016-09-01 | Release date: | 2016-12-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tryptophan Synthase Uses an Atypical Mechanism To Achieve Substrate Specificity. Biochemistry, 55, 2016
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5YHY
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![BU of 5yhy by Molmil](/molmil-images/mine/5yhy) | Structure of Lactococcus lactis ZitR, C30S mutant | Descriptor: | ZINC ION, Zinc transport transcriptional regulator | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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6Q0W
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![BU of 6q0w by Molmil](/molmil-images/mine/6q0w) | Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39 | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | Authors: | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15. Nat.Chem.Biol., 16, 2020
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2W2D
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![BU of 2w2d by Molmil](/molmil-images/mine/2w2d) | Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A | Descriptor: | ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ... | Authors: | Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2008-10-29 | Release date: | 2009-03-24 | Last modified: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A. Biochem.Biophys.Res.Commun., 381, 2009
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7AZE
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![BU of 7aze by Molmil](/molmil-images/mine/7aze) | DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound | Descriptor: | Beta sliding clamp, GLYCEROL, MALONATE ION, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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6F1Z
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![BU of 6f1z by Molmil](/molmil-images/mine/6f1z) | Roadblock-1 region of the dynein tail/dynactin/BICDR1 complex | Descriptor: | Cytoplasmic dynein 1 intermediate chain 2, Dynein light chain roadblock-type 1 | Authors: | Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | Deposit date: | 2017-11-23 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement. Nature, 554, 2018
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6SQW
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![BU of 6sqw by Molmil](/molmil-images/mine/6sqw) | Mouse dCTPase in complex with 5-Me-dCMP | Descriptor: | 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1 | Authors: | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | Deposit date: | 2019-09-04 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products. J.Mol.Biol., 432, 2020
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8IYM
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![BU of 8iym by Molmil](/molmil-images/mine/8iym) | Crystal structure of a protein acetyltransferase, HP0935 | Descriptor: | 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ... | Authors: | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | Deposit date: | 2023-04-05 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a protein acetyltransferase, HP0935 To be published
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4DUR
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![BU of 4dur by Molmil](/molmil-images/mine/4dur) | The X-ray Crystal Structure of Full-Length type II Human Plasminogen | Descriptor: | ACETATE ION, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Law, R.H.P, Caradoc-Davies, T, Whisstock, J.C. | Deposit date: | 2012-02-22 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The X-ray crystal structure of full-length human plasminogen Cell Rep, 1, 2012
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7EQU
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![BU of 7equ by Molmil](/molmil-images/mine/7equ) | Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, FE (III) ION, ... | Authors: | Maurya, A, Singh, J, Sharma, A, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2021-05-04 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution To Be Published
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6Q4B
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![BU of 6q4b by Molmil](/molmil-images/mine/6q4b) | CDK2 in complex with FragLite13 | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4J
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![BU of 6q4j by Molmil](/molmil-images/mine/6q4j) | CDK2 in complex with FragLite34 | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6F78
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![BU of 6f78 by Molmil](/molmil-images/mine/6f78) | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | Descriptor: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | Deposit date: | 2017-12-07 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
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4L1L
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![BU of 4l1l by Molmil](/molmil-images/mine/4l1l) | Rat PKC C2 domain bound to CD | Descriptor: | CADMIUM ION, Protein kinase C alpha type, SULFATE ION | Authors: | Morales, K.M, Yang, Y, Long, Z, Li, P, Taylor, A.B, Hart, P.J, Igumenova, T.I. | Deposit date: | 2013-06-03 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cd(2+) as a ca(2+) surrogate in protein-membrane interactions: isostructural but not isofunctional. J.Am.Chem.Soc., 135, 2013
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6SZ1
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![BU of 6sz1 by Molmil](/molmil-images/mine/6sz1) | Crystal structure of YTHDC1 with fragment 2 (DHU_DC1_140) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methylquinazolin-4-amine | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-01 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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3O6Q
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![BU of 3o6q by Molmil](/molmil-images/mine/3o6q) | The Structure of SpoIISA and SpoIISB, a Toxin - Antitoxin System | Descriptor: | Stage II sporulation protein SA, Stage II sporulation protein SB | Authors: | Levdikov, V.M, Blagova, E.V, Lebedev, A.A, Wilkinson, A.J, Florek, P, Barak, I. | Deposit date: | 2010-07-29 | Release date: | 2010-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure and interactions of SpoIISA and SpoIISB, a toxin-antitoxin system in Bacillus subtilis. J.Biol.Chem., 161, 2010
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7EVQ
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![BU of 7evq by Molmil](/molmil-images/mine/7evq) | Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ... | Authors: | Viswanathan, V, Singh, J, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2021-05-21 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution To Be Published
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6PY1
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![BU of 6py1 by Molmil](/molmil-images/mine/6py1) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, C-type lectin domain family 10 member A, ... | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2019-07-28 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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6T05
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![BU of 6t05 by Molmil](/molmil-images/mine/6t05) | Crystal structure of YTHDC1 with fragment 18 (DHU_DC1_048) | Descriptor: | 2-(phenylmethyl)imidazolidine, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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