6QUU
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![BU of 6quu by Molmil](/molmil-images/mine/6quu) | Crystal Structure of KRAS-G12D in complex with GMP-PCP | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | Deposit date: | 2019-02-28 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.477 Å) | Cite: | KRAS Binders Hidden in Nature. Chemistry, 25, 2019
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4V03
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![BU of 4v03 by Molmil](/molmil-images/mine/4v03) | MinD cell division protein, Aquifex aeolicus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SITE-DETERMINING PROTEIN | Authors: | Trambaiolo, D, Lowe, J. | Deposit date: | 2014-09-10 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments. Nat.Commun., 5, 2014
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4V35
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![BU of 4v35 by Molmil](/molmil-images/mine/4v35) | The Structure of A-PGS from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ... | Authors: | Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J. | Deposit date: | 2014-10-16 | Release date: | 2015-08-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZZZ
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![BU of 4zzz by Molmil](/molmil-images/mine/4zzz) | Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor | Descriptor: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, GLYCEROL, POLY [ADP-RIBOSE] POLYMERASE 1, ... | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | Deposit date: | 2015-04-15 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
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6QZ2
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![BU of 6qz2 by Molmil](/molmil-images/mine/6qz2) | Structure of MHETase from Ideonella sakaiensis | Descriptor: | CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase | Authors: | Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2019-03-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc.Natl.Acad.Sci.USA, 117, 2020
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3H4B
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![BU of 3h4b by Molmil](/molmil-images/mine/3h4b) | Ternary complex of human DNA polymerase iota with template U/T and incoming dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(*TP*(BRU)P*GP*GP*GP*TP*CP*CP*T)-3', ... | Authors: | Jain, R, Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | Deposit date: | 2009-04-18 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Replication across template T/U by human DNA polymerase-iota. Structure, 17, 2009
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5E13
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![BU of 5e13 by Molmil](/molmil-images/mine/5e13) | Crystal structure of Eosinophil-derived neurotoxin in complex with the triazole double-headed ribonucleoside 11c | Descriptor: | 3'-{4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1H-1,2,3-triazol-1-yl}-3'-deoxyadenosine, Non-secretory ribonuclease | Authors: | Chatzileontiadou, D.S.M, Stravodimos, G.A, Kantsadi, A.L, Leonidas, D.D. | Deposit date: | 2015-09-29 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Triazole double-headed ribonucleosides as inhibitors of eosinophil derived neurotoxin. Bioorg.Chem., 63, 2015
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6WR4
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![BU of 6wr4 by Molmil](/molmil-images/mine/6wr4) | Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery | Descriptor: | Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol | Authors: | Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery. Cell Rep, 31, 2020
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7PCF
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![BU of 7pcf by Molmil](/molmil-images/mine/7pcf) | Human methemoglobin bound to Staphylococcus aureus hemophore IsdB | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | Authors: | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | Deposit date: | 2021-08-03 | Release date: | 2022-04-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (5.82 Å) | Cite: | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
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5INI
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![BU of 5ini by Molmil](/molmil-images/mine/5ini) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | Descriptor: | HEXANOYL-COENZYME A, Putative carboxyl transferase | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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5KU7
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2QMJ
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![BU of 2qmj by Molmil](/molmil-images/mine/2qmj) | Crystral Structure of the N-terminal Subunit of Human Maltase-Glucoamylase in Complex with Acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Sim, L, Rose, D.R. | Deposit date: | 2007-07-16 | Release date: | 2008-01-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human intestinal maltase-glucoamylase: crystal structure of the N-terminal catalytic subunit and basis of inhibition and substrate specificity J.Mol.Biol., 375, 2008
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4V36
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![BU of 4v36 by Molmil](/molmil-images/mine/4v36) | The structure of L-PGS from Bacillus licheniformis | Descriptor: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSYL-TRNA-DEPENDENT L-YSYL-PHOSPHATIDYLGYCEROL SYNTHASE | Authors: | Krausze, J, Hebecker, S, Heinz, D.W, Moser, J. | Deposit date: | 2014-10-16 | Release date: | 2015-08-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine. Proc.Natl.Acad.Sci.USA, 112, 2015
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8RWL
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![BU of 8rwl by Molmil](/molmil-images/mine/8rwl) | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1 | Descriptor: | CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ... | Authors: | Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D. | Deposit date: | 2024-02-05 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme. To Be Published
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5L4S
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![BU of 5l4s by Molmil](/molmil-images/mine/5l4s) | Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral | Descriptor: | (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-05-26 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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7R3B
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![BU of 7r3b by Molmil](/molmil-images/mine/7r3b) | S-adenosylmethionine synthetase from Lactobacillus plantarum complexed with AMPPNP, methionine and SAM | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, PHENYLALANINE, ... | Authors: | Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R. | Deposit date: | 2022-02-07 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains. Protein Sci., 31, 2022
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7RCQ
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5I9G
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![BU of 5i9g by Molmil](/molmil-images/mine/5i9g) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2 | Descriptor: | RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2 | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | Deposit date: | 2016-02-20 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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5A00
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![BU of 5a00 by Molmil](/molmil-images/mine/5a00) | Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 1, SULFATE ION | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | Deposit date: | 2015-04-15 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
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6E74
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![BU of 6e74 by Molmil](/molmil-images/mine/6e74) | Structure of Human Transthyretin Leu55Pro Mutant in Complex with Tafamidis | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Variants of Transthyretin To Be Published
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6UMX
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![BU of 6umx by Molmil](/molmil-images/mine/6umx) | Structural basis for specific inhibition of extracellular activation of pro/latent myostatin by SRK-015 | Descriptor: | GL29H4-16 Fab Heavy Chain,GL29H4-16 Fab Heavy Chain, GL29H4-16 Fab Light Chain,GL29H4-16 Fab Light Chain, GLYCEROL, ... | Authors: | Dagbay, K.B, Treece, E, Streich Jr, F.C, Jackson, J.W, Faucette, R.R, Nikiforov, A, Lin, S.C, Bostion, C.J, Nicholls, S.B, Capili, A.D, Carven, G.J. | Deposit date: | 2019-10-10 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis of specific inhibition of extracellular activation of pro- or latent myostatin by the monoclonal antibody SRK-015. J.Biol.Chem., 295, 2020
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5IC3
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![BU of 5ic3 by Molmil](/molmil-images/mine/5ic3) | CAL PDZ domain with peptide and inhibitor | Descriptor: | 4-[methyl(nitroso)amino]benzene-1,2-diol, Golgi-associated PDZ and coiled-coil motif-containing protein, HPV18E6 Peptide | Authors: | Zhao, Y, Madden, D.R. | Deposit date: | 2016-02-22 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CAL PDZ domain with peptide and inhibitor To Be Published
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5IEV
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![BU of 5iev by Molmil](/molmil-images/mine/5iev) | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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7RGC
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6AK9
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![BU of 6ak9 by Molmil](/molmil-images/mine/6ak9) | Pre-catalytic Ternary Complex of Human DNA Polymerase Mu with Templating Cytosine and Incoming Ca-8oxodGTP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chang, Y.K, Wu, W.J, Tsai, M.D. | Deposit date: | 2018-08-30 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions. J.Am.Chem.Soc., 141, 2019
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