1KLF
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![BU of 1klf by Molmil](/molmil-images/mine/1klf) | FIMH ADHESIN-FIMC CHAPERONE COMPLEX WITH D-MANNOSE | Descriptor: | CHAPERONE PROTEIN FIMC, FIMH PROTEIN, alpha-D-mannopyranose | Authors: | Hung, C.S, Bouckaert, J. | Deposit date: | 2001-12-11 | Release date: | 2002-06-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection. Mol.Microbiol., 44, 2002
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5MWJ
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![BU of 5mwj by Molmil](/molmil-images/mine/5mwj) | Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1 | Descriptor: | DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor | Authors: | McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S. | Deposit date: | 2017-01-18 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1. Chemistry, 23, 2017
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3L0V
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3LEA
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![BU of 3lea by Molmil](/molmil-images/mine/3lea) | |
3LE9
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7VDQ
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![BU of 7vdq by Molmil](/molmil-images/mine/7vdq) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | Descriptor: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDS
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![BU of 7vds by Molmil](/molmil-images/mine/7vds) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDR
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![BU of 7vdr by Molmil](/molmil-images/mine/7vdr) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | Descriptor: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDP
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![BU of 7vdp by Molmil](/molmil-images/mine/7vdp) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDU
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![BU of 7vdu by Molmil](/molmil-images/mine/7vdu) | The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 | Descriptor: | Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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4JI3
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![BU of 4ji3 by Molmil](/molmil-images/mine/4ji3) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | Authors: | Demirci, H, Wang, L, Murphy, F.V, Murphy, E.L, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | Deposit date: | 2013-03-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome. Rna, 19, 2013
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3K9U
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![BU of 3k9u by Molmil](/molmil-images/mine/3k9u) | Crystal structure of paia acetyltransferase (ta0374) from thermoplasma acidophilum | Descriptor: | ACETYL COENZYME *A, BROMIDE ION, CHLORIDE ION, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-10-16 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production. Proteins, 79, 2011
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4JI5
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![BU of 4ji5 by Molmil](/molmil-images/mine/4ji5) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | Authors: | Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | Deposit date: | 2013-03-05 | Release date: | 2013-11-06 | Last modified: | 2013-12-04 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome. Rna, 19, 2013
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4JI1
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![BU of 4ji1 by Molmil](/molmil-images/mine/4ji1) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | Authors: | Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | Deposit date: | 2013-03-05 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.144 Å) | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome. Rna, 19, 2013
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4JI7
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![BU of 4ji7 by Molmil](/molmil-images/mine/4ji7) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | Authors: | Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | Deposit date: | 2013-03-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome. Rna, 19, 2013
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7RMT
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![BU of 7rmt by Molmil](/molmil-images/mine/7rmt) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-70 | Descriptor: | 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-28 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RNH
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![BU of 7rnh by Molmil](/molmil-images/mine/7rnh) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | Descriptor: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-29 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RLS
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![BU of 7rls by Molmil](/molmil-images/mine/7rls) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68 | Descriptor: | 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RNK
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![BU of 7rnk by Molmil](/molmil-images/mine/7rnk) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71 | Descriptor: | 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-29 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RM2
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![BU of 7rm2 by Molmil](/molmil-images/mine/7rm2) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1 | Descriptor: | 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RME
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![BU of 7rme by Molmil](/molmil-images/mine/7rme) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52 | Descriptor: | 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-27 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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3K4T
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2FV5
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![BU of 2fv5 by Molmil](/molmil-images/mine/2fv5) | Crystal structure of TACE in complex with IK682 | Descriptor: | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE, ADAM 17, ZINC ION | Authors: | Orth, P, Niu, X. | Deposit date: | 2006-01-30 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | IK682, a tight binding inhibitor of TACE. Arch.Biochem.Biophys., 451, 2006
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5OUG
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![BU of 5oug by Molmil](/molmil-images/mine/5oug) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline and allosteric binder fragment 4. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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8TIM
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![BU of 8tim by Molmil](/molmil-images/mine/8tim) | |