7NBJ
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7NBM
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![BU of 7nbm by Molmil](/molmil-images/mine/7nbm) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33) | Descriptor: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-27 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7NBQ
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![BU of 7nbq by Molmil](/molmil-images/mine/7nbq) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) | Descriptor: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-27 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.479 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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5BUV
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![BU of 5buv by Molmil](/molmil-images/mine/5buv) | X-ray structure of WbcA from Yersinia enterocolitica | Descriptor: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, PHOSPHATE ION, ... | Authors: | Holden, H.M, Salinger, A.J, Brown, H.A, Thoden, J.B. | Deposit date: | 2015-06-04 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Biochemical studies on WbcA, a sugar epimerase from Yersinia enterocolitica. Protein Sci., 24, 2015
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6YAU
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![BU of 6yau by Molmil](/molmil-images/mine/6yau) | CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A. | Descriptor: | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.397 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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6YG9
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![BU of 6yg9 by Molmil](/molmil-images/mine/6yg9) | CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | Descriptor: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-27 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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6MV4
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![BU of 6mv4 by Molmil](/molmil-images/mine/6mv4) | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vadivel, K, Schreuder, H.A, Liesum, A, Bajaj, S.P. | Deposit date: | 2018-10-24 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study. J. Thromb. Haemost., 17, 2019
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7BKG
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![BU of 7bkg by Molmil](/molmil-images/mine/7bkg) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2) | Descriptor: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7BLE
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![BU of 7ble by Molmil](/molmil-images/mine/7ble) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | Descriptor: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-18 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7BUK
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![BU of 7buk by Molmil](/molmil-images/mine/7buk) | T1 lipase mutant - 5M (D43E/T118N/E226D/E250L/N304E) | Descriptor: | CALCIUM ION, Lipase, ZINC ION | Authors: | Ishak, S.N.H, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C, Kamarudin, N.H.A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.644 Å) | Cite: | Structure elucidation and docking analysis of 5M mutant of T1 lipase Geobacillus zalihae. Plos One, 16, 2021
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6NR6
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![BU of 6nr6 by Molmil](/molmil-images/mine/6nr6) | Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION | Authors: | Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2019-01-22 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
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5CR6
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![BU of 5cr6 by Molmil](/molmil-images/mine/5cr6) | Structure of pneumolysin at 1.98 A resolution | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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6OF6
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![BU of 6of6 by Molmil](/molmil-images/mine/6of6) | Crystal structure of tRNA^ Ala(GGC) bound to cognate 70S A-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Sunita, S, Dunham, C.M. | Deposit date: | 2019-03-28 | Release date: | 2020-06-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Disruption of evolutionarily correlated tRNA elements impairs accurate decoding. Proc.Natl.Acad.Sci.USA, 117, 2020
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5CR8
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![BU of 5cr8 by Molmil](/molmil-images/mine/5cr8) | Structure of the membrane-binding domain of pneumolysin | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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6OPE
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![BU of 6ope by Molmil](/molmil-images/mine/6ope) | Crystal structure of tRNA^ Ala(GGC) U32-A38 bound to near-cognate 70S A site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Sunita, S, Dunham, C.M. | Deposit date: | 2019-04-24 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Disruption of evolutionarily correlated tRNA elements impairs accurate decoding. Proc.Natl.Acad.Sci.USA, 117, 2020
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4TYS
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![BU of 4tys by Molmil](/molmil-images/mine/4tys) | Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide | Descriptor: | Concanavalin-A, bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate | Authors: | Vieira, D.B.H.A, Delatorre, P, Silva-Filho, J.C, Nobrega, R.B, Cavada, B.S, Rocha, B.A.M, Lima, E.M, Teixeira, C.S. | Deposit date: | 2014-07-09 | Release date: | 2015-07-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide To Be Published
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4TZD
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![BU of 4tzd by Molmil](/molmil-images/mine/4tzd) | Crystal structure of Canavalia maritima lectin (ConM) complexed with interleukin - 1 beta primer | Descriptor: | Concanavalin-A, DNA (5'-D(P*CP*G)-3'), DNA (5'-D(P*TP*C)-3') | Authors: | Vieira, D.B.H.A, Delatorre, P, Rocha, B.A.M, Teixeira, C.S, Silva-Filho, J.C, Lima, E.M, Nobrega, R.B, Cavada, B.S. | Deposit date: | 2014-07-10 | Release date: | 2015-07-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of Canavalia maritima lectin (ConM) complexed with interleukin 1 - beta primer To Be Published
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6ORD
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![BU of 6ord by Molmil](/molmil-images/mine/6ord) | Crystal structure of tRNA^ Ala(GGC) U32-A38 bound to cognate 70S A site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Sunita, S, Dunham, C.M. | Deposit date: | 2019-04-30 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Disruption of evolutionarily correlated tRNA elements impairs accurate decoding. Proc.Natl.Acad.Sci.USA, 117, 2020
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4FUQ
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![BU of 4fuq by Molmil](/molmil-images/mine/4fuq) | Crystal structure of apo MatB from Rhodopseudomonas palustris | Descriptor: | GLYCEROL, Malonyl CoA synthetase, SULFATE ION | Authors: | Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2012-06-28 | Release date: | 2012-07-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structure-Guided Expansion of the Substrate Range of Methylmalonyl Coenzyme A Synthetase (MatB) of Rhodopseudomonas palustris. Appl.Environ.Microbiol., 78, 2012
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6OJ2
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![BU of 6oj2 by Molmil](/molmil-images/mine/6oj2) | Crystal structure of tRNA^ Ala(GGC) bound to the near-cognate 70S A-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Sunita, S, Dunham, C.M. | Deposit date: | 2019-04-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Disruption of evolutionarily correlated tRNA elements impairs accurate decoding. Proc.Natl.Acad.Sci.USA, 117, 2020
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4FUT
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![BU of 4fut by Molmil](/molmil-images/mine/4fut) | Crystal structure of ATP bound MatB from Rhodopseudomonas palustris | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2012-06-28 | Release date: | 2012-07-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Expansion of the Substrate Range of Methylmalonyl Coenzyme A Synthetase (MatB) of Rhodopseudomonas palustris. Appl.Environ.Microbiol., 78, 2012
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4UIB
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![BU of 4uib by Molmil](/molmil-images/mine/4uib) | Crystal structure of 3p in complex with tafCPB | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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4UIA
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![BU of 4uia by Molmil](/molmil-images/mine/4uia) | Crystal structure of 3a in complex with tafCPB | Descriptor: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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6P9E
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![BU of 6p9e by Molmil](/molmil-images/mine/6p9e) | Crystal structure of IL-36gamma complexed to A-552 | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | Deposit date: | 2019-06-10 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis. Sci Rep, 9, 2019
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7QIL
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![BU of 7qil by Molmil](/molmil-images/mine/7qil) | |