5UD9
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![BU of 5ud9 by Molmil](/molmil-images/mine/5ud9) | Crystal structure of 354BG18 Fab | Descriptor: | Fab heavy chain, Light chain | Authors: | Scharf, L, Bjorkman, P.J. | Deposit date: | 2016-12-23 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller. Sci Transl Med, 9, 2017
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1JJK
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![BU of 1jjk by Molmil](/molmil-images/mine/1jjk) | Selenomethionine Substitution of Orotidine-5'-monophosphate Decarboxylase from E. coli Causes a Change in Crystal Contacts and Space Group | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | Authors: | Poulsen, J.-C.N, Harris, P, Jensen, K.F, Larsen, S. | Deposit date: | 2001-07-06 | Release date: | 2001-08-01 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Selenomethionine substitution of orotidine-5'-monophosphate decarboxylase causes a change in crystal contacts and space group. Acta Crystallogr.,Sect.D, 57, 2001
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2EA0
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![BU of 2ea0 by Molmil](/molmil-images/mine/2ea0) | Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli in complex with AP-site containing DNA substrate | Descriptor: | 5'-D(P*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3', 5'-D(P*GP*GP*CP*TP*TP*CP*AP*TP*CP*CP*TP*G)-3', Endonuclease VIII, ... | Authors: | Golan, G, Zharov, D.O, Grollman, A.P, Shoham, G. | Deposit date: | 2007-01-29 | Release date: | 2008-02-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Active site plasticity of endonuclease VIII: Conformational changes compensating for different substrate and mutations of critical residues To be Published
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2V7A
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![BU of 2v7a by Molmil](/molmil-images/mine/2v7a) | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | Descriptor: | MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | Authors: | Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J. | Deposit date: | 2007-07-27 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358. Cancer Res., 67, 2007
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5MLQ
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![BU of 5mlq by Molmil](/molmil-images/mine/5mlq) | Structure of CDPS from Nocardia brasiliensis | Descriptor: | CDPS, CITRIC ACID | Authors: | Bourgeois, G, Seguin, J, Moutiez, M, Babin, M, Belin, P, Mechulam, Y, Gondry, M, Schmitt, E. | Deposit date: | 2016-12-07 | Release date: | 2018-05-02 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structural basis for partition of the cyclodipeptide synthases into two subfamilies. J.Struct.Biol., 203, 2018
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4D9X
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![BU of 4d9x by Molmil](/molmil-images/mine/4d9x) | The crystal structure of Coptisine bound to DNA d(CGTACG) | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | Deposit date: | 2012-01-12 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The crystal structure of Coptisine bound to DNA d(CGTACG) to be published
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4CVJ
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![BU of 4cvj by Molmil](/molmil-images/mine/4cvj) | Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2014-03-27 | Release date: | 2014-07-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
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2NQ2
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![BU of 2nq2 by Molmil](/molmil-images/mine/2nq2) | An inward-facing conformation of a putative metal-chelate type ABC transporter. | Descriptor: | Hypothetical ABC transporter ATP-binding protein HI1470, Hypothetical ABC transporter permease protein HI1471 | Authors: | Pinkett, H.P, Lee, A.T, Lum, P, Locher, K.P, Rees, D.C. | Deposit date: | 2006-10-30 | Release date: | 2007-01-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An inward-facing conformation of a putative metal-chelate-type ABC transporter. Science, 315, 2007
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7ZLH
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![BU of 7zlh by Molmil](/molmil-images/mine/7zlh) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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4DDR
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![BU of 4ddr by Molmil](/molmil-images/mine/4ddr) | Human dihydrofolate reductase complexed with NADPH and P218 | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-01-19 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4Q3I
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![BU of 4q3i by Molmil](/molmil-images/mine/4q3i) | Structure of the OsSERK2 leucine rich repeat extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, OsSERK2 D128N | Authors: | McAndrew, R.P, Pruitt, R.N, Kamita, S.G, Pereira, J.H, Majumder, D, Hammock, B.D, Adams, P.D, Ronald, P.C. | Deposit date: | 2014-04-11 | Release date: | 2014-11-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the OsSERK2 leucine-rich repeat extracellular domain. Acta Crystallogr.,Sect.D, 70, 2014
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6J9Q
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![BU of 6j9q by Molmil](/molmil-images/mine/6j9q) | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with AMP-PNP. | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | Deposit date: | 2019-01-24 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase. To Be Published
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5MX1
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![BU of 5mx1 by Molmil](/molmil-images/mine/5mx1) | Crystal structure of human chondroadherin | Descriptor: | CHLORIDE ION, Chondroadherin, NICKEL (II) ION, ... | Authors: | Paracuellos, P, Hohenester, E. | Deposit date: | 2017-01-20 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural and functional analysis of two small leucine-rich repeat proteoglycans, fibromodulin and chondroadherin. Matrix Biol., 63, 2017
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3JD4
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![BU of 3jd4 by Molmil](/molmil-images/mine/3jd4) | Glutamate dehydrogenase in complex with NADH and GTP, closed conformation | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ... | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | Deposit date: | 2016-03-28 | Release date: | 2016-04-27 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. Mol.Pharmacol., 89, 2016
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1FDI
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![BU of 1fdi by Molmil](/molmil-images/mine/1fdi) | OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI COMPLEXED WITH THE INHIBITOR NITRITE | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ... | Authors: | Sun, P.D, Boyington, J.C. | Deposit date: | 1997-01-28 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster. Science, 275, 1997
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5UC5
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![BU of 5uc5 by Molmil](/molmil-images/mine/5uc5) | Chalcone synthase from Malus domestica | Descriptor: | CHS2 chalcone synthase | Authors: | Stewart Jr, C.E, Noel, J.P. | Deposit date: | 2016-12-21 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Molecular architectures of benzoic acid-specific type III polyketide synthases. Acta Crystallogr D Struct Biol, 73, 2017
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1JRY
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![BU of 1jry by Molmil](/molmil-images/mine/1jry) | Crystal structure of Arg402Lys mutant flavocytochrome c3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | Authors: | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2001-08-15 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase. Biochemistry, 40, 2001
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7ZGC
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![BU of 7zgc by Molmil](/molmil-images/mine/7zgc) | Structure of yeast Sec14p with NPPM481 | Descriptor: | (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone, PHOSPHATE ION, SEC14 cytosolic factor | Authors: | Hong, Z, Johnen, P, Schaaf, G, Bono, F. | Deposit date: | 2022-04-03 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity. J.Biol.Chem., 299, 2023
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5MYB
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![BU of 5myb by Molmil](/molmil-images/mine/5myb) | Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | Authors: | Leppanen, V.-M, Saharinen, P, Alitalo, K. | Deposit date: | 2017-01-26 | Release date: | 2017-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1U2W
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![BU of 1u2w by Molmil](/molmil-images/mine/1u2w) | Crystal Structure of the Staphylococcus aureus pI258 CadC | Descriptor: | Cadmium efflux system accessory protein, ZINC ION | Authors: | Ye, J, Kandegedara, A, Martin, P, Rosen, B.P. | Deposit date: | 2004-07-20 | Release date: | 2005-07-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Staphylococcus aureus pI258 CadC Cd(II)/Pb(II)/Zn(II)-responsive repressor J.Bacteriol., 187, 2005
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6JD1
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![BU of 6jd1 by Molmil](/molmil-images/mine/6jd1) | Cryo-EM Structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+, NADH, and CPD at pH7.5 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative ketol-acid reductoisomerase 2, ... | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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5UDR
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![BU of 5udr by Molmil](/molmil-images/mine/5udr) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with nicotinamide mononucleotid NMN | Descriptor: | ATP-utilizing enzyme of the PP-loopsuperfamily, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MANGANESE (II) ION | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3JQL
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![BU of 3jql by Molmil](/molmil-images/mine/3jql) | Crystal Structure of the Complex Formed Between Phospholipase A2 and a Hexapeptide Fragment of Amyloid Beta Peptide, Lys-Leu-Val-Phe-Phe-Ala at 1.2 A Resolution | Descriptor: | Acidic phospholipase A2 3 (Fragment), Amyloid Beta Peptide, CALCIUM ION | Authors: | Mirza, Z, Vikram, G, Singh, N, Sinha, M, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P. | Deposit date: | 2009-09-07 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structure of the Complex Formed Between Phospholipase A2 and a Hexapeptide Fragment of Amyloid Beta Peptide, Lys-Leu-Val-Phe-Phe-Ala at 1.2 A Resolution To be Published
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3ZDG
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![BU of 3zdg by Molmil](/molmil-images/mine/3zdg) | Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(dimethylamino)butyl dimethylcarbamate, ACETYLCHOLINE BINDING PROTEIN, ... | Authors: | Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T. | Deposit date: | 2012-11-26 | Release date: | 2013-02-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists. J.Med.Chem., 56, 2013
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5UGG
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![BU of 5ugg by Molmil](/molmil-images/mine/5ugg) | Protease Inhibitor | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | Deposit date: | 2017-01-08 | Release date: | 2017-05-31 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors. Blood Adv, 1, 2017
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