5DD9
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![BU of 5dd9 by Molmil](/molmil-images/mine/5dd9) | Menin in complex with MI-326 | Descriptor: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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8SKM
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2FZI
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![BU of 2fzi by Molmil](/molmil-images/mine/2fzi) | New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | Descriptor: | 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | Deposit date: | 2006-02-09 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions. Proteins, 65, 2006
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5DDI
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8SLJ
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8RB6
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![BU of 8rb6 by Molmil](/molmil-images/mine/8rb6) | Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ... | Authors: | Frydenvang, K, Mirza, O.A. | Deposit date: | 2023-12-03 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer. Eur.J.Med.Chem., 268, 2024
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5DEO
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2FYC
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![BU of 2fyc by Molmil](/molmil-images/mine/2fyc) | Crystal structure of the catalytic domain of bovine beta1,4-galactosyltransferase-I in complex with alpha-lactalbumin, Ca and UDP-galactose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-lactalbumin, CALCIUM ION, ... | Authors: | Ramakrishnan, B, Ramasamy, V, Qasba, P.K. | Deposit date: | 2006-02-07 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Snapshots of beta-1,4-Galactosyltransferase-I Along the Kinetic Pathway. J.Mol.Biol., 357, 2006
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5CSA
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4FQZ
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8RXO
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5CTC
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2FYS
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![BU of 2fys by Molmil](/molmil-images/mine/2fys) | Crystal structure of Erk2 complex with KIM peptide derived from MKP3 | Descriptor: | Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1 | Authors: | Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y. | Deposit date: | 2006-02-08 | Release date: | 2006-04-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3 Proc.Natl.Acad.Sci.Usa, 103, 2006
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5CUD
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![BU of 5cud by Molmil](/molmil-images/mine/5cud) | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-CHLOROPURINE (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-9H-purine, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-07-24 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 6-CHLOROPURINE (SGC - Diamond I04-1 fragment screening) To be published
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8RDR
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![BU of 8rdr by Molmil](/molmil-images/mine/8rdr) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g | Descriptor: | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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2FZ6
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![BU of 2fz6 by Molmil](/molmil-images/mine/2fz6) | Crystal structure of hydrophobin HFBI | Descriptor: | Hydrophobin-1, ZINC ION | Authors: | Hakanpaa, J.M, Rouvinen, J. | Deposit date: | 2006-02-09 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two crystal structures of Trichoderma reesei hydrophobin HFBI--The structure of a protein amphiphile with and without detergent interaction. Protein Sci., 15, 2006
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5CUY
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![BU of 5cuy by Molmil](/molmil-images/mine/5cuy) | Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, CITRIC ACID, MAGNESIUM ION | Authors: | Yang, Y.Y, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
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5DG6
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![BU of 5dg6 by Molmil](/molmil-images/mine/5dg6) | 2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-mer) inhibitor | Descriptor: | 3C-LIKE PROTEASE, CHLORIDE ION, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-08-27 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 59, 2016
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2FZH
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![BU of 2fzh by Molmil](/molmil-images/mine/2fzh) | New Insights into Dihydrofolate Reductase Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | Deposit date: | 2006-02-09 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions. Proteins, 65, 2006
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5DGC
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![BU of 5dgc by Molmil](/molmil-images/mine/5dgc) | Reaction of phosphorylated CheY with imidazole 2 of 3 | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, Chemotaxis protein CheY, ... | Authors: | Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J. | Deposit date: | 2015-08-27 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction. Biochemistry, 54, 2015
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8DZT
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![BU of 8dzt by Molmil](/molmil-images/mine/8dzt) | Crystal structure of human Sar1aH79G mutant | Descriptor: | CALCIUM ION, GTP-binding protein SAR1a, GUANOSINE-5',3'-TETRAPHOSPHATE, ... | Authors: | Huang, Q. | Deposit date: | 2022-08-08 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023
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8RDS
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![BU of 8rds by Molmil](/molmil-images/mine/8rds) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i | Descriptor: | (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RKS
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![BU of 8rks by Molmil](/molmil-images/mine/8rks) | Structure of VPS29-VPS35 bound to the LFa motif R21 of Fam21. | Descriptor: | Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35, WASH complex subunit 2A | Authors: | Romano-Moreno, M, Astorga-Simon, E.N, Rojas, A.L, Hierro, A. | Deposit date: | 2023-12-30 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Retromer-mediated recruitment of the WASH complex involves discrete interactions between VPS35, VPS29, and FAM21. Protein Sci., 33, 2024
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8RDT
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![BU of 8rdt by Molmil](/molmil-images/mine/8rdt) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j | Descriptor: | (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RU2
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![BU of 8ru2 by Molmil](/molmil-images/mine/8ru2) | Structure of the F-actin barbed end bound by formin mDia1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | Authors: | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | Deposit date: | 2024-01-29 | Release date: | 2024-04-10 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
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