3FIB
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![BU of 3fib by Molmil](/molmil-images/mine/3fib) | RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339 | 分子名称: | CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES | 著者 | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | 登録日 | 1997-07-14 | 公開日 | 1997-09-17 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro. Proc.Natl.Acad.Sci.USA, 94, 1997
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4LNI
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![BU of 4lni by Molmil](/molmil-images/mine/4lni) | B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | 著者 | Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L. | 登録日 | 2013-07-11 | 公開日 | 2013-11-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5793 Å) | 主引用文献 | Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism. J.Biol.Chem., 288, 2013
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5CPR
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![BU of 5cpr by Molmil](/molmil-images/mine/5cpr) | The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | 分子名称: | 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ... | 著者 | Jakob, C.G, Upadhyay, A.K, Sun, C. | 登録日 | 2015-07-21 | 公開日 | 2017-01-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity. Nat. Chem. Biol., 13, 2017
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1N2N
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![BU of 1n2n by Molmil](/molmil-images/mine/1n2n) | Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CYANIDE ION, ... | 著者 | Fedorov, R, Ghosh, D.K, Schlichting, I. | 登録日 | 2002-10-23 | 公開日 | 2003-02-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures of cyanide complexes of P450cam and the oxygenase domain of inducible nitric oxide synthase-structural models of the short-lived oxygen complexes Arch.Biochem.Biophys., 409, 2003
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2EC1
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![BU of 2ec1 by Molmil](/molmil-images/mine/2ec1) | Solution structure of the RanBD1 domain from human Nucleoporin 50 kDa | 分子名称: | Nucleoporin 50 kDa | 著者 | Zhang, H.P, Kurosaki, C, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-02-09 | 公開日 | 2007-08-14 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the RanBD1 domain from human Nucleoporin 50 kDa To be published
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1N2Y
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![BU of 1n2y by Molmil](/molmil-images/mine/1n2y) | SOLUTION STRUCTURE OF SS-CYCLIZED CATESTATIN FRAGMENT FROM CHROMOGRANIN A | 分子名称: | CATESTATIN | 著者 | Preece, N.E, Nguyen, M, Mahata, M, Mahata, S.K, Mahapatra, N.R, Tsigelny, I, O'Connor, D.T. | 登録日 | 2002-10-24 | 公開日 | 2002-11-13 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Conformational preferences and activities of peptides from the catecholamine
release-inhibitory (catestatin) region of chromogranin A Regul.Pept., 118, 2004
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2VOY
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![BU of 2voy by Molmil](/molmil-images/mine/2voy) | CryoEM model of CopA, the copper transporting ATPase from Archaeoglobus fulgidus | 分子名称: | CATION-TRANSPORTING ATPASE, P-TYPE, POTENTIAL COPPER-TRANSPORTING ATPASE, ... | 著者 | Wu, C.-C, Rice, W.J, Stokes, D.L. | 登録日 | 2008-02-25 | 公開日 | 2009-05-26 | 最終更新日 | 2022-05-04 | 実験手法 | ELECTRON MICROSCOPY (18 Å) | 主引用文献 | Structure of a Copper Pump Suggests a Regulatory Role for its Metal-Binding Domain. Structure, 16, 2008
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7QOI
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![BU of 7qoi by Molmil](/molmil-images/mine/7qoi) | Unique vertex of the phicrAss001 virion | 分子名称: | Auxiliary capsid protein gp36, Cargo protein 1 gp45, Head fiber trimer protein gp21, ... | 著者 | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | 登録日 | 2021-12-24 | 公開日 | 2023-03-29 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | 主引用文献 | Structural atlas of a human gut crassvirus. Nature, 617, 2023
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4LKO
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![BU of 4lko by Molmil](/molmil-images/mine/4lko) | Crystal structure of human DPP-IV in complex with BMS-744891 | 分子名称: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | 著者 | Klei, H.E. | 登録日 | 2013-07-08 | 公開日 | 2013-09-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | 登録日 | 2024-01-17 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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7QPV
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![BU of 7qpv by Molmil](/molmil-images/mine/7qpv) | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | 分子名称: | 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Leonard, P.M, Langgard, M. | 登録日 | 2022-01-05 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
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8VKL
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![BU of 8vkl by Molmil](/molmil-images/mine/8vkl) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | 著者 | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | 登録日 | 2024-01-09 | 公開日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | 主引用文献 | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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1N3R
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![BU of 1n3r by Molmil](/molmil-images/mine/1n3r) | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-10-29 | 公開日 | 2003-10-14 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I J.MOL.BIOL., 326, 2003
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7QAR
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![BU of 7qar by Molmil](/molmil-images/mine/7qar) | Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature | 分子名称: | (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase | 著者 | Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A. | 登録日 | 2021-11-17 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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2VXJ
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![BU of 2vxj by Molmil](/molmil-images/mine/2vxj) | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH AGAL13BGAL14GLC AT 1.9 A RESOLUTION | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ... | 著者 | Blanchard, B, Nurisso, A, Hollville, E, Tetaud, C, Wiels, J, Pokorna, M, Wimmerova, M, Varrot, A, Imberty, A. | 登録日 | 2008-07-04 | 公開日 | 2008-09-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas Aeruginosa Lectin I. J.Mol.Biol., 383, 2008
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7QPQ
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![BU of 7qpq by Molmil](/molmil-images/mine/7qpq) | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | 分子名称: | 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Leonard, P.M, Langgard, M. | 登録日 | 2022-01-05 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
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1MUZ
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![BU of 1muz by Molmil](/molmil-images/mine/1muz) | |
2W82
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![BU of 2w82 by Molmil](/molmil-images/mine/2w82) | The structure of ArdA | 分子名称: | ORF18 | 著者 | McMahon, S.A, Roberts, G.A, Carter, L.G, Cooper, L.P, Liu, H, White, J.H, Johnson, K.A, Sanghvi, B, Oke, M, Walkinshaw, M.D, Blakely, G, Naismith, J.H, Dryden, D.T.F. | 登録日 | 2009-01-08 | 公開日 | 2009-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Extensive DNA Mimicry by the Arda Anti-Restriction Protein and its Role in the Spread of Antibiotic Resistance. Nucleic Acids Res., 37, 2009
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3FV9
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![BU of 3fv9 by Molmil](/molmil-images/mine/3fv9) | Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium | 分子名称: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | 著者 | Malashkevich, V.N, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-01-15 | 公開日 | 2009-01-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium to be published
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7QUH
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![BU of 7quh by Molmil](/molmil-images/mine/7quh) | Siglec-8 in complex with therapeutic Fab AK002. | 分子名称: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | 著者 | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | 登録日 | 2022-01-18 | 公開日 | 2023-05-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.867 Å) | 主引用文献 | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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4LLR
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![BU of 4llr by Molmil](/molmil-images/mine/4llr) | Tryparedoxin peroxidase (TXNPX) from trypanosoma cruzi in the reduced state | 分子名称: | Tryparedoxin peroxidase | 著者 | Pineyro, M.D, Pizarro, J.C, Lema, F, Pritsch, O, Cayota, A, Bentley, G.A, Robello, C. | 登録日 | 2013-07-09 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the TRYPAREDOXIN PEROXIDASE from the human parasite TRYPANOSOMA CRUZI J.STRUCT.BIOL., 150, 2005
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7QRI
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![BU of 7qri by Molmil](/molmil-images/mine/7qri) | Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe | 分子名称: | PHENYLALANINE, Tryptophan 5-hydroxylase 2 | 著者 | Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B. | 登録日 | 2022-01-11 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand. Structure, 31, 2023
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7QBJ
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![BU of 7qbj by Molmil](/molmil-images/mine/7qbj) | bacterial IMPDH chimera | 分子名称: | Inosine-5'-monophosphate dehydrogenase | 著者 | Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A. | 登録日 | 2021-11-19 | 公開日 | 2023-05-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases. Protein Sci., 32, 2023
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4LO4
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![BU of 4lo4 by Molmil](/molmil-images/mine/4lo4) | Apo HA-70 | 分子名称: | CHLORIDE ION, HA-70 | 著者 | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | 登録日 | 2013-07-12 | 公開日 | 2013-10-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.871 Å) | 主引用文献 | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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5AGP
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![BU of 5agp by Molmil](/molmil-images/mine/5agp) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid | 分子名称: | (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-02-02 | 公開日 | 2015-04-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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