8TDH
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6T8A
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![BU of 6t8a by Molmil](/molmil-images/mine/6t8a) | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | Authors: | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | Deposit date: | 2019-10-24 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) to be published
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6T8E
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6FGO
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![BU of 6fgo by Molmil](/molmil-images/mine/6fgo) | Fc in complex with engineered calcium binding domain Z | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Venskutonyte, R, Kanje, S, Hober, S, Lindkvist-Petersson, K. | Deposit date: | 2018-01-11 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Engineering Allows for Mild Affinity-based Elution of Therapeutic Antibodies. J. Mol. Biol., 430, 2018
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6WBH
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![BU of 6wbh by Molmil](/molmil-images/mine/6wbh) | Crystal structure of mRECK(CC4) in fusion with engineered MBP at medium resolution | Descriptor: | CHLORIDE ION, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, ZINC ION, ... | Authors: | Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J. | Deposit date: | 2020-03-26 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.455 Å) | Cite: | Structure of the RECK CC domain, an evolutionary anomaly. Proc.Natl.Acad.Sci.USA, 117, 2020
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3K00
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![BU of 3k00 by Molmil](/molmil-images/mine/3k00) | Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. | Descriptor: | Acarbose/maltose binding protein GacH, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. | Deposit date: | 2009-09-24 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. J.Mol.Biol., 397, 2010
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6TBW
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![BU of 6tbw by Molmil](/molmil-images/mine/6tbw) | Crystal structure of AmpC from E.coli with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | Deposit date: | 2019-11-04 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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6TDF
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![BU of 6tdf by Molmil](/molmil-images/mine/6tdf) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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8T6F
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![BU of 8t6f by Molmil](/molmil-images/mine/8t6f) | Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | Descriptor: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Poncet-Montange, G, Lemke, C.T. | Deposit date: | 2023-06-15 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | BRD810 is a novel highly selective MCL1 inhibitor with optimized in vivo clearance and robust efficacy in solid and hematological tumor models to be published
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8TCS
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![BU of 8tcs by Molmil](/molmil-images/mine/8tcs) | Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 | Descriptor: | ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ... | Authors: | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2023-07-02 | Release date: | 2024-06-19 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An alternative broad-specificity pathway for glycan breakdown in bacteria. Nature, 631, 2024
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5LM8
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![BU of 5lm8 by Molmil](/molmil-images/mine/5lm8) | Crystal structure of a laccase-like multicopper oxidase McoG from from Aspergillus niger | Descriptor: | 'Multicopper oxidase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | Deposit date: | 2016-07-29 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and function of Aspergillus niger laccase McoG Biocatalysis, 2017
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5LFE
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1AUS
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![BU of 1aus by Molmil](/molmil-images/mine/1aus) | ACTIVATED UNLIGANDED SPINACH RUBISCO | Descriptor: | FORMIC ACID, MAGNESIUM ION, RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE | Authors: | Taylor, T.C, Andersson, I. | Deposit date: | 1995-06-21 | Release date: | 1995-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a product complex of spinach ribulose-1,5-bisphosphate carboxylase/oxygenase. Biochemistry, 36, 1997
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3K8L
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7O2F
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![BU of 7o2f by Molmil](/molmil-images/mine/7o2f) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 22 (UZH2) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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7O2E
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![BU of 7o2e by Molmil](/molmil-images/mine/7o2e) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 21 (ADO_AD_089) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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8THF
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![BU of 8thf by Molmil](/molmil-images/mine/8thf) | SARS-CoV-2 BA.1 S-6P-no-RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein | Authors: | Bu, F, Li, F, Liu, B. | Deposit date: | 2023-07-15 | Release date: | 2024-07-17 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Universal subunit vaccine protects against multiple SARS-CoV-2 variants and SARS-CoV. Npj Vaccines, 9, 2024
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7O09
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![BU of 7o09 by Molmil](/molmil-images/mine/7o09) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 7 (ADO_AC_074) | Descriptor: | 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-25 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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7O08
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![BU of 7o08 by Molmil](/molmil-images/mine/7o08) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ADO_AB_075) | Descriptor: | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-25 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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1BXQ
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![BU of 1bxq by Molmil](/molmil-images/mine/1bxq) | ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR. | Descriptor: | 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER, ACETATE ION, GLYCEROL, ... | Authors: | Parrish, J.C, Khan, A.R, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | Deposit date: | 1998-10-07 | Release date: | 1998-10-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes. Biochemistry, 37, 1998
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7O0M
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![BU of 7o0m by Molmil](/molmil-images/mine/7o0m) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023) To Be Published
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7O29
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![BU of 7o29 by Molmil](/molmil-images/mine/7o29) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 20 (ADO_AD_044) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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7O2H
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![BU of 7o2h by Molmil](/molmil-images/mine/7o2h) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091) To Be Published
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3HZ3
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![BU of 3hz3 by Molmil](/molmil-images/mine/3hz3) | Lactobacillus reuteri N-terminally truncated glucansucrase GTF180(D1025N)-sucrose complex | Descriptor: | CALCIUM ION, Glucansucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 2009-06-23 | Release date: | 2010-06-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes Proc.Natl.Acad.Sci.USA, 107, 2010
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6XNN
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![BU of 6xnn by Molmil](/molmil-images/mine/6xnn) | Crystal Structure of Mouse STING CTD complex with SR-717. | Descriptor: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
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