4MXM
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5L9Y
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![BU of 5l9y by Molmil](/molmil-images/mine/5l9y) | Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355 | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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2MBK
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![BU of 2mbk by Molmil](/molmil-images/mine/2mbk) | The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed | Descriptor: | Crossveinless 2 | Authors: | Mueller, T.D, Fiebig, J.E, Weidauer, S.E, Qiu, L, Bauer, M, Schmieder, P, Beerbaum, M, Zhang, J, Oschkinat, H, Sebald, W. | Deposit date: | 2013-08-02 | Release date: | 2013-10-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed. Molecules, 18, 2013
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5ZMB
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4AGW
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![BU of 4agw by Molmil](/molmil-images/mine/4agw) | Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ... | Authors: | Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D. | Deposit date: | 2012-02-01 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants. Blood, 115, 2010
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2MAM
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4ZE8
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![BU of 4ze8 by Molmil](/molmil-images/mine/4ze8) | PBP AccA from A. tumefaciens C58 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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3G0Y
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![BU of 3g0y by Molmil](/molmil-images/mine/3g0y) | Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin | Descriptor: | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2 | Authors: | Soisson, S.M, Parthasarathy, G. | Deposit date: | 2009-01-29 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis and biological evaluation of platensimycin analogs. Bioorg.Med.Chem.Lett., 19, 2009
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4ZEI
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5LA4
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![BU of 5la4 by Molmil](/molmil-images/mine/5la4) | Crystal structure of apo human proheparanase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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5ZYQ
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![BU of 5zyq by Molmil](/molmil-images/mine/5zyq) | The Structure of Human PAF1/CTR9 complex | Descriptor: | RNA polymerase-associated protein CTR9 homolog,RNA polymerase II-associated factor 1 homolog | Authors: | Xie, Y, Zheng, M, Zhou, H, Long, J. | Deposit date: | 2018-05-28 | Release date: | 2018-09-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.531 Å) | Cite: | Paf1 and Ctr9 subcomplex formation is essential for Paf1 complex assembly and functional regulation. Nat Commun, 9, 2018
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3HPG
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3SRQ
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![BU of 3srq by Molmil](/molmil-images/mine/3srq) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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7D2N
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7D28
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7D16
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![BU of 7d16 by Molmil](/molmil-images/mine/7d16) | NERP-2 in a DPC solution | Descriptor: | Neurosecretory protein VGF | Authors: | Park, O, Cheong, C, Jeon, Y. | Deposit date: | 2020-09-13 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of neuroendocrine regulatory peptide-2 in membrane-mimicking environments. Peptide Science, 2020
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2BV3
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![BU of 2bv3 by Molmil](/molmil-images/mine/2bv3) | Crystal structure of a mutant elongation factor G trapped with a GTP analogue | Descriptor: | ELONGATION FACTOR G, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T. | Deposit date: | 2005-06-22 | Release date: | 2005-08-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Mutant Elongation Factor G Trapped with a GTP Analogue. FEBS Lett., 579, 2005
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5ZYP
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![BU of 5zyp by Molmil](/molmil-images/mine/5zyp) | Structure of the Yeast Ctr9/Paf1 complex | Descriptor: | NICKEL (II) ION, RNA polymerase-associated protein CTR9,RNA polymerase II-associated protein 1 | Authors: | Xie, Y, Zheng, M, Zhou, H, Long, J. | Deposit date: | 2018-05-28 | Release date: | 2018-09-26 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Paf1 and Ctr9 subcomplex formation is essential for Paf1 complex assembly and functional regulation. Nat Commun, 9, 2018
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4ZEC
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![BU of 4zec by Molmil](/molmil-images/mine/4zec) | PBP AccA from A. tumefaciens C58 in complex with agrocin 84 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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4EZJ
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4FJZ
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![BU of 4fjz by Molmil](/molmil-images/mine/4fjz) | Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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2MVN
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5L9Z
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![BU of 5l9z by Molmil](/molmil-images/mine/5l9z) | Crystal structure of human heparanase nucleophile mutant (E343Q), in complex with unreacted glucuronic acid configured aziridine probe JJB355 | Descriptor: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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6EDK
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![BU of 6edk by Molmil](/molmil-images/mine/6edk) | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis with N10-formyltetrahydrofolate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Formyltransferase PseJ, N-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid, ... | Authors: | Reimer, J.M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-08-09 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain. ACS Chem. Biol., 13, 2018
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3VD8
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![BU of 3vd8 by Molmil](/molmil-images/mine/3vd8) | Crystal structure of human AIM2 PYD domain with MBP fusion | Descriptor: | 1,2-ETHANEDIOL, Maltose-binding periplasmic protein, Interferon-inducible protein AIM2, ... | Authors: | Jin, T.C, Perry, A, Smith, P, Xiao, T.S. | Deposit date: | 2012-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0685 Å) | Cite: | Structure of the Absent in Melanoma 2 (AIM2) Pyrin Domain Provides Insights into the Mechanisms of AIM2 Autoinhibition and Inflammasome Assembly. J.Biol.Chem., 288, 2013
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