2FCX
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![BU of 2fcx by Molmil](/molmil-images/mine/2fcx) | HIV-1 DIS kissing-loop in complex with neamine | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ... | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | Deposit date: | 2005-12-13 | Release date: | 2006-05-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res., 34, 2006
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1TJ9
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![BU of 1tj9 by Molmil](/molmil-images/mine/1tj9) | Structure of the complexed formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A resolution | Descriptor: | ACETIC ACID, Phospholipase A2, SULFATE ION, ... | Authors: | Singh, N, Ethayathulla, A.S, K Somvanshi, R, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Kaur, P, Singh, T.P. | Deposit date: | 2004-06-03 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of the complex formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A resolution TO BE PUBLISHED
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1MKL
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![BU of 1mkl by Molmil](/molmil-images/mine/1mkl) | NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE | Descriptor: | 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | Authors: | Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P. | Deposit date: | 2002-08-29 | Release date: | 2002-10-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural refinement of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B(1) adduct in a 5'-Cp(AFB)G-3' sequence. Chem.Res.Toxicol., 15, 2002
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3GYS
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2W99
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![BU of 2w99 by Molmil](/molmil-images/mine/2w99) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-22 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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1TK2
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![BU of 1tk2 by Molmil](/molmil-images/mine/1tk2) | Crystal Structure of the Complex formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution | Descriptor: | CALCIUM ION, GRAMICIDIN S, SUBTILISIN SAVINASE | Authors: | Bhatt, V.S, Kaur, P, Klupsch, S, Betzel, C, Brenner, S, Singh, T.P. | Deposit date: | 2004-06-08 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal Structure of the Complex Formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution. To be Published
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2VXY
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![BU of 2vxy by Molmil](/molmil-images/mine/2vxy) | The structure of FTsZ from Bacillus subtilis at 1.7A resolution | Descriptor: | CELL DIVISION PROTEIN FTSZ, CITRIC ACID, POTASSIUM ION | Authors: | Barynin, V.V, Baker, P.J, Rice, D.W, Sedelnikova, S.E, Haydon, D.J, Stokes, N.R, Ure, R, Galbraith, G, Bennett, J.M, Brown, D.R, Heal, J.R, Sheridan, J.M, Aiwale, S.T, Chauhan, P.K, Srivastava, A, Taneja, A, Collins, I, Errington, J, Czaplewski, L.G. | Deposit date: | 2008-07-15 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity. Science, 321, 2008
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1TJV
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![BU of 1tjv by Molmil](/molmil-images/mine/1tjv) | Crystal Structure of T161D Duck Delta 2 Crystallin Mutant | Descriptor: | Delta crystallin II | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | Deposit date: | 2004-06-07 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis BIOCHEM.J., 384, 2004
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4F9N
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![BU of 4f9n by Molmil](/molmil-images/mine/4f9n) | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein | Authors: | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-05-19 | Release date: | 2012-06-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution To be Published
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2W8C
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![BU of 2w8c by Molmil](/molmil-images/mine/2w8c) | |
3E4B
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![BU of 3e4b by Molmil](/molmil-images/mine/3e4b) | Crystal structure of AlgK from Pseudomonas fluorescens WCS374r | Descriptor: | AlgK, CHLORIDE ION, GLYCEROL | Authors: | Keiski, C.-L, Harwich, M, Jain, S, Neculai, A.M, Yip, P, Robinson, H, Whitney, J.C, Burrows, L.L, Ohman, D.E, Howell, P.L. | Deposit date: | 2008-08-11 | Release date: | 2009-08-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | AlgK is a TPR-containing protein and the periplasmic component of a novel exopolysaccharide secretin. Structure, 18, 2010
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4FCR
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![BU of 4fcr by Molmil](/molmil-images/mine/4fcr) | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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1SZU
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![BU of 1szu by Molmil](/molmil-images/mine/1szu) | The structure of gamma-aminobutyrate aminotransferase mutant: V241A | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | Authors: | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-04-06 | Release date: | 2005-03-01 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
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4FCX
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![BU of 4fcx by Molmil](/molmil-images/mine/4fcx) | S.pombe Mre11 apoenzym | Descriptor: | DNA repair protein rad32, MANGANESE (II) ION | Authors: | Schiller, C.B, Lammens, K, Hopfner, K.P. | Deposit date: | 2012-05-25 | Release date: | 2012-06-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling. Nat.Struct.Mol.Biol., 19, 2012
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2FD0
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![BU of 2fd0 by Molmil](/molmil-images/mine/2fd0) | HIV-1 DIS kissing-loop in complex with lividomycin | Descriptor: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, CHLORIDE ION, HIV-1 DIS RNA, ... | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | Deposit date: | 2005-12-13 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res., 34, 2006
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1T37
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![BU of 1t37 by Molmil](/molmil-images/mine/1t37) | Design of specific inhibitors of phospholipase A2: Crystal structure of the complex formed between group I phospholipase A2 and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.6A resolution | Descriptor: | ACETATE ION, Phospholipase A2 isoform 3, Synthetic peptide | Authors: | Singh, R.K, Singh, N, Jabeen, T, Makker, J, Sharma, S, Dey, S, Singh, T.P. | Deposit date: | 2004-04-25 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of group I PLA2 with a group II-specific peptide Leu-Ala-Ile-Tyr-Ser (LAIYS) at 2.6 A resolution. J.Drug Target., 13, 2005
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3LEX
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![BU of 3lex by Molmil](/molmil-images/mine/3lex) | 2F5 Epitope scaffold elicited anti-HIV-1 monoclonal antibody 11F10 in complex with HIV-1 GP41 | Descriptor: | 11f10 Antibody Heavy Chain, 11f10 Antibody Light Chain, Envelope glycoprotein gp41 | Authors: | Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D. | Deposit date: | 2010-01-15 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Elicitation of structure-specific antibodies by epitope scaffolds. Proc.Natl.Acad.Sci.USA, 107, 2010
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1XCZ
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![BU of 1xcz by Molmil](/molmil-images/mine/1xcz) | Structure of DNA containing the beta-anomer of a carbocyclic abasic site | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(DXD)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | Authors: | de los Santos, C, El-khateeb, M, Rege, P, Tian, K, Johnson, F. | Deposit date: | 2004-09-03 | Release date: | 2004-10-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Impact of the C1 configuration of abasic sites on DNA duplex structure Biochemistry, 43, 2004
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4OBP
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![BU of 4obp by Molmil](/molmil-images/mine/4obp) | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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3WCD
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![BU of 3wcd by Molmil](/molmil-images/mine/3wcd) | The complex structure of HsSQS wtih ligand, WC-9 | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Squalene synthase | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3LGN
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![BU of 3lgn by Molmil](/molmil-images/mine/3lgn) | Crystal structure of IsdI in complex with heme | Descriptor: | Heme-degrading monooxygenase isdI, MAGNESIUM ION, OXYGEN MOLECULE, ... | Authors: | Ukpabi, G.N, Murphy, M.E.P. | Deposit date: | 2010-01-20 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The IsdG-family of haem oxygenases degrades haem to a novel chromophore Mol.Microbiol., 75, 2010
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3EBF
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![BU of 3ebf by Molmil](/molmil-images/mine/3ebf) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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2CNH
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![BU of 2cnh by Molmil](/molmil-images/mine/2cnh) | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | CALCIUM ION, N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-21 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem., 281, 2006
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2VOS
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![BU of 2vos by Molmil](/molmil-images/mine/2vos) | Mycobacterium tuberculosis Folylpolyglutamate synthase complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, ... | Authors: | Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A. | Deposit date: | 2008-02-19 | Release date: | 2008-07-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp. Acta Crystallogr.,Sect.D, 64, 2008
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2XRD
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![BU of 2xrd by Molmil](/molmil-images/mine/2xrd) | Structure of the N-terminal four domains of the complement regulator Rat Crry | Descriptor: | COMPLEMENT REGULATORY PROTEIN CRRY | Authors: | Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M. | Deposit date: | 2010-09-14 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structures of the Rat Complement Regulator Crry. Acta Crystallogr.,Sect.F, 67, 2011
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