4ADS
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![BU of 4ads by Molmil](/molmil-images/mine/4ads) | Crystal structure of plasmodial PLP synthase complex | Descriptor: | PDX2 PROTEIN, PHOSPHATE ION, PYRIDOXINE BIOSYNTHETIC ENZYME PDX1 HOMOLOGUE, ... | Authors: | Guedez, G, Sinning, I, Tews, I. | Deposit date: | 2012-01-03 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Assembly of the Eukaryotic Plp-Synthase Complex from Plasmodium and Activation of the Pdx1 Enzyme. Structure, 20, 2012
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8ABV
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![BU of 8abv by Molmil](/molmil-images/mine/8abv) | Crystal structure of SpLdpA in complex with erythro-DGPD | Descriptor: | (1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, GLYCEROL, ... | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ABT
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![BU of 8abt by Molmil](/molmil-images/mine/8abt) | Crystal structure of NaLdpA in complex with the product analog Resveratrol | Descriptor: | RESVERATROL, SULFATE ION, SnoaL-like domain-containing protein | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ABU
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![BU of 8abu by Molmil](/molmil-images/mine/8abu) | Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD | Descriptor: | (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SnoaL-like domain-containing protein | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.661 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ABW
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![BU of 8abw by Molmil](/molmil-images/mine/8abw) | Crystal structure of SpLdpA in complex with threo-DGPD | Descriptor: | (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ... | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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7QDU
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![BU of 7qdu by Molmil](/molmil-images/mine/7qdu) | |
7QZN
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![BU of 7qzn by Molmil](/molmil-images/mine/7qzn) | Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+ | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022) Chemcatchem, 14, 2022
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7QZL
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![BU of 7qzl by Molmil](/molmil-images/mine/7qzl) | Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ... | Authors: | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022) Chemcatchem, 14, 2022
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7QDL
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![BU of 7qdl by Molmil](/molmil-images/mine/7qdl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567 | Descriptor: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-11-27 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate. J.Med.Chem., 65, 2022
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8RUS
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![BU of 8rus by Molmil](/molmil-images/mine/8rus) | Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121 | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perrett, S, van Thor, J.J. | Deposit date: | 2024-01-31 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE. Struct Dyn., 11, 2024
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8QWB
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1R2X
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![BU of 1r2x by Molmil](/molmil-images/mine/1r2x) | Coordinates of L11 with 58nts of 23S rRNA fitted into the cryo-EM map of EF-Tu ternary complex (GDP.Kirromycin) bound 70S ribosome | Descriptor: | 50S ribosomal protein L11, 58nts of 23S rRNA | Authors: | Valle, M, Zavialov, A, Li, W, Stagg, S.M, Sengupta, J, Nielsen, R.C, Nissen, P, Harvey, S.C, Ehrenberg, M, Frank, J. | Deposit date: | 2003-09-30 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Incorporation of aminoacyl-tRNA into the ribosome as seen by cryo-electron Microscopy Nat.Struct.Biol., 10, 2003
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4DBU
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![BU of 4dbu by Molmil](/molmil-images/mine/4dbu) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | Deposit date: | 2012-01-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.528 Å) | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
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1I8N
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![BU of 1i8n by Molmil](/molmil-images/mine/1i8n) | CRYSTAL STRUCTURE OF LEECH ANTI-PLATELET PROTEIN | Descriptor: | ANTI-PLATELET PROTEIN, PROPIONAMIDE | Authors: | Huizinga, E.G, Schouten, A, Connolly, T.M, Kroon, J, Sixma, J.J, Gros, P. | Deposit date: | 2001-03-15 | Release date: | 2001-08-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of leech anti-platelet protein, an inhibitor of haemostasis. Acta Crystallogr.,Sect.D, 57, 2001
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2VGD
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![BU of 2vgd by Molmil](/molmil-images/mine/2vgd) | Crystal structure of environmental isolated GH11 in complex with xylobiose and feruloyl-arabino-xylotriose | Descriptor: | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose, ENXYN11A, GLYCEROL, ... | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | Deposit date: | 2007-11-12 | Release date: | 2007-12-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases. J.Mol.Biol., 375, 2008
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1JKK
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![BU of 1jkk by Molmil](/molmil-images/mine/1jkk) | 2.4A X-RAY STRUCTURE OF TERNARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE AND MG. | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-12 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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2VG9
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![BU of 2vg9 by Molmil](/molmil-images/mine/2vg9) | Crystal structure of Loop Swap mutant of Necallimastix patriciarum Xyn11A | Descriptor: | ACETATE ION, BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A, CADMIUM ION | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | Deposit date: | 2007-11-09 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases. J.Mol.Biol., 375, 2008
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8PON
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![BU of 8pon by Molmil](/molmil-images/mine/8pon) | TEAD2 in complex with an inhibitor | Descriptor: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | Authors: | Guichou, J.F. | Deposit date: | 2023-07-05 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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7RT1
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![BU of 7rt1 by Molmil](/molmil-images/mine/7rt1) | Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT5
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![BU of 7rt5 by Molmil](/molmil-images/mine/7rt5) | Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound | Descriptor: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT2
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![BU of 7rt2 by Molmil](/molmil-images/mine/7rt2) | Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | Descriptor: | 1,2-ETHANEDIOL, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GLYCEROL, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT4
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![BU of 7rt4 by Molmil](/molmil-images/mine/7rt4) | KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine) | Descriptor: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT3
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![BU of 7rt3 by Molmil](/molmil-images/mine/7rt3) | Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-12 | Release date: | 2021-12-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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4J9B
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7ROL
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![BU of 7rol by Molmil](/molmil-images/mine/7rol) | |