8SFZ
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![BU of 8sfz by Molmil](/molmil-images/mine/8sfz) | High Affinity nanobodies against GFP | Descriptor: | Green fluorescent protein, LaG35, POTASSIUM ION, ... | Authors: | Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C. | Deposit date: | 2023-04-11 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High Affinity nanobodies against GFP To Be Published
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8SFV
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![BU of 8sfv by Molmil](/molmil-images/mine/8sfv) | High affinity nanobodies to GFP | Descriptor: | GLYCEROL, Green fluorescent protein, LaG19, ... | Authors: | Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C. | Deposit date: | 2023-04-11 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | High affinity nanobodies to GFP To Be Published
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6WS1
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![BU of 6ws1 by Molmil](/molmil-images/mine/6ws1) | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH) | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | Authors: | Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2020-04-30 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Transition-State Analogues of PhenylethanolamineN-Methyltransferase. J.Am.Chem.Soc., 142, 2020
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8SG3
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![BU of 8sg3 by Molmil](/molmil-images/mine/8sg3) | |
4F2P
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![BU of 4f2p by Molmil](/molmil-images/mine/4f2p) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-05-08 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A Structure, 21, 2013
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4F1W
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![BU of 4f1w by Molmil](/molmil-images/mine/4f1w) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ... | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-05-07 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine Structure, 21, 2013
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4F2W
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![BU of 4f2w by Molmil](/molmil-images/mine/4f2w) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with methyl-thio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-05-08 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with methyl-thio-DADMe-Immucillin-A Structure, 21, 2013
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4F3K
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![BU of 4f3k by Molmil](/molmil-images/mine/4f3k) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, {(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-05-09 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A Structure, 21, 2013
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4F3C
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![BU of 4f3c by Molmil](/molmil-images/mine/4f3c) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-05-09 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A Structure, 21, 2013
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6OVT
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![BU of 6ovt by Molmil](/molmil-images/mine/6ovt) | Crystal Structure of IlvD from Mycobacterium tuberculosis | Descriptor: | DI(HYDROXYETHYL)ETHER, Dihydroxy-acid dehydratase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Almo, S.C, Grove, T.L, Bonanno, J.B, Baker, E.N, Bashiri, G. | Deposit date: | 2019-05-08 | Release date: | 2019-08-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The active site of theMycobacterium tuberculosisbranched-chain amino acid biosynthesis enzyme dihydroxyacid dehydratase contains a 2Fe-2S cluster. J.Biol.Chem., 294, 2019
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2OKT
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![BU of 2okt by Molmil](/molmil-images/mine/2okt) | Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form | Descriptor: | O-succinylbenzoic acid synthetase | Authors: | Patskovsky, Y, Toro, R, Malashkevich, V, Sauder, J.M, Ozyurt, S, Smith, D, Dickey, M, Maletic, M, Powell, A, Gheyi, T, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-01-17 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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3MZV
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![BU of 3mzv by Molmil](/molmil-images/mine/3mzv) | Crystal structure of a decaprenyl diphosphate synthase from Rhodobacter capsulatus | Descriptor: | Decaprenyl diphosphate synthase | Authors: | Quartararo, C.E, Patskovsky, Y, Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-05-13 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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2P27
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![BU of 2p27 by Molmil](/molmil-images/mine/2p27) | Crystal Structure of Human Pyridoxal Phosphate Phosphatase with Mg2+ at 1.9 A resolution | Descriptor: | MAGNESIUM ION, Pyridoxal phosphate phosphatase | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-03-07 | Release date: | 2007-03-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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2PGE
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![BU of 2pge by Molmil](/molmil-images/mine/2pge) | |
2OYC
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![BU of 2oyc by Molmil](/molmil-images/mine/2oyc) | Crystal structure of human pyridoxal phosphate phosphatase | Descriptor: | Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-02-21 | Release date: | 2007-03-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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2P69
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![BU of 2p69 by Molmil](/molmil-images/mine/2p69) | Crystal Structure of Human Pyridoxal Phosphate Phosphatase with PLP | Descriptor: | CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate phosphatase | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-03-16 | Release date: | 2007-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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2OLA
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![BU of 2ola by Molmil](/molmil-images/mine/2ola) | Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form | Descriptor: | O-succinylbenzoic acid synthetase | Authors: | Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-01-18 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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4JLQ
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![BU of 4jlq by Molmil](/molmil-images/mine/4jlq) | Crystal structure of human Karyopherin-beta2 bound to the PY-NLS of Saccharomyces cerevisiae NAB2 | Descriptor: | Nuclear polyadenylated RNA-binding protein NAB2, Transportin-1 | Authors: | Sampathkumar, P, Gizzi, A, Rout, M.P, Chook, Y.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals) | Deposit date: | 2013-03-12 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of human Karyopherin beta 2 bound to the PY-NLS of Saccharomyces cerevisiae Nab2. J.Struct.Funct.Genom., 14, 2013
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4I0K
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![BU of 4i0k by Molmil](/molmil-images/mine/4i0k) | Crystal structure of murine B7-H3 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD276 antigen, SULFATE ION, ... | Authors: | Vigdorovich, V, Ramagopal, U, Bonanno, J.B, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2012-11-16 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structure and T cell inhibition properties of B7 family member, B7-H3. Structure, 21, 2013
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4IZG
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![BU of 4izg by Molmil](/molmil-images/mine/4izg) | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound cis-4oh-d-proline betaine (product) | Descriptor: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium, IODIDE ION, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-01-29 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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5E83
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![BU of 5e83 by Molmil](/molmil-images/mine/5e83) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | Descriptor: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | Deposit date: | 2015-10-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease. Br.J.Haematol., 175, 2016
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4E8G
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![BU of 4e8g by Molmil](/molmil-images/mine/4e8g) | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound mg | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-03-20 | Release date: | 2012-05-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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7LOV
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![BU of 7lov by Molmil](/molmil-images/mine/7lov) | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2021-02-10 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues. Nat Commun, 12, 2021
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7LOU
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![BU of 7lou by Molmil](/molmil-images/mine/7lou) | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glucosyltransferase TcdB, ... | Authors: | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2021-02-10 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues. Nat Commun, 12, 2021
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7MLP
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![BU of 7mlp by Molmil](/molmil-images/mine/7mlp) | Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid, Ricin, ... | Authors: | Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2021-04-28 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
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