2G63
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![BU of 2g63 by Molmil](/molmil-images/mine/2g63) | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b | Descriptor: | Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | Deposit date: | 2006-02-24 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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4R8W
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![BU of 4r8w by Molmil](/molmil-images/mine/4r8w) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a neutralizing antibody CT149 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of neutralizing antibody CT149, Hemagglutinin, ... | Authors: | Wu, Y, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2014-09-03 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.795 Å) | Cite: | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus Nat Commun, 6, 2015
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6PYC
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![BU of 6pyc by Molmil](/molmil-images/mine/6pyc) | Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ... | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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2G5T
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![BU of 2g5t by Molmil](/molmil-images/mine/2g5t) | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag | Descriptor: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4 | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | Deposit date: | 2006-02-23 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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5CEH
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![BU of 5ceh by Molmil](/molmil-images/mine/5ceh) | Structure of histone lysine demethylase KDM5A in complex with selective inhibitor | Descriptor: | 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Vinogradova, M. | Deposit date: | 2015-07-06 | Release date: | 2016-05-18 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells. Nat.Chem.Biol., 12, 2016
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2G5P
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![BU of 2g5p by Molmil](/molmil-images/mine/2g5p) | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac | Descriptor: | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4 | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | Deposit date: | 2006-02-23 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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3U28
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![BU of 3u28 by Molmil](/molmil-images/mine/3u28) | Crystal structure of a Cbf5-Nop10-Gar1 complex from Saccharomyces cerevisiae | Descriptor: | H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 3, H/ACA ribonucleoprotein complex subunit 4 | Authors: | Ye, K, Li, S. | Deposit date: | 2011-10-02 | Release date: | 2011-12-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reconstitution and structural analysis of the yeast box H/ACA RNA-guided pseudouridine synthase Genes Dev., 25, 2011
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6YOS
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![BU of 6yos by Molmil](/molmil-images/mine/6yos) | Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide | Descriptor: | 14-3-3 protein zeta/delta, Glucocorticoid receptor,Glucocorticoid receptor | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | Deposit date: | 2020-04-15 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J.Biol.Chem., 296, 2021
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6YO8
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![BU of 6yo8 by Molmil](/molmil-images/mine/6yo8) | Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide | Descriptor: | 14-3-3 protein zeta/delta, Glucocorticoid receptor | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | Deposit date: | 2020-04-14 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J.Biol.Chem., 296, 2021
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6YMO
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![BU of 6ymo by Molmil](/molmil-images/mine/6ymo) | Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pS617 peptide | Descriptor: | 14-3-3 protein zeta/delta, 2-HYDROXYBENZOIC ACID, Glucocorticoid receptor, ... | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | Deposit date: | 2020-04-09 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J.Biol.Chem., 296, 2021
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6RIM
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![BU of 6rim by Molmil](/molmil-images/mine/6rim) | |
5L57
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![BU of 5l57 by Molmil](/molmil-images/mine/5l57) | Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a) | Descriptor: | (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Levy, C. | Deposit date: | 2016-05-28 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. J.Med.Chem., 59, 2016
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8CQ2
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![BU of 8cq2 by Molmil](/molmil-images/mine/8cq2) | Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, C16S, C20S, C870S, T1279C mutant | Descriptor: | TcdA1 | Authors: | Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S. | Deposit date: | 2023-03-03 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Kinetics of the syringe-like injection mechanism of Tc toxins to be published
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8CPZ
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![BU of 8cpz by Molmil](/molmil-images/mine/8cpz) | Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, K1179W mutant | Descriptor: | TcdA1 | Authors: | Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S. | Deposit date: | 2023-03-03 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Kinetics of the syringe-like injection mechanism of Tc toxins to be published
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8CQ0
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![BU of 8cq0 by Molmil](/molmil-images/mine/8cq0) | Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, K567W K2008W mutant | Descriptor: | TcdA1 | Authors: | Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S. | Deposit date: | 2023-03-03 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Kinetics of the syringe-like injection mechanism of Tc toxins to be published
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5L58
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![BU of 5l58 by Molmil](/molmil-images/mine/5l58) | Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2) | Descriptor: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Levy, C. | Deposit date: | 2016-05-28 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. J.Med.Chem., 59, 2016
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8C8G
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![BU of 8c8g by Molmil](/molmil-images/mine/8c8g) | |
7CKQ
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![BU of 7ckq by Molmil](/molmil-images/mine/7ckq) | |
4UVI
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![BU of 4uvi by Molmil](/molmil-images/mine/4uvi) | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | Descriptor: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVD
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![BU of 4uvd by Molmil](/molmil-images/mine/4uvd) | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVE
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![BU of 4uve by Molmil](/molmil-images/mine/4uve) | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | Descriptor: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVG
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![BU of 4uvg by Molmil](/molmil-images/mine/4uvg) | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | Descriptor: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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7FAH
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![BU of 7fah by Molmil](/molmil-images/mine/7fah) | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | Deposit date: | 2021-07-06 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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6FYT
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![BU of 6fyt by Molmil](/molmil-images/mine/6fyt) | |
6FYW
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![BU of 6fyw by Molmil](/molmil-images/mine/6fyw) | |