1W3V
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2R0F
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![BU of 2r0f by Molmil](/molmil-images/mine/2r0f) | Ligand free structure of fungal lectin CGL3 | Descriptor: | CGL3 lectin | Authors: | Waelti, M.A, Walser, P.J, Thore, S, Gruenler, A, Ban, N, Kuenzler, M, Aebi, M. | Deposit date: | 2007-08-19 | Release date: | 2008-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chitotetraose Coordination by CGL3, a Novel Galectin-Related Protein from Coprinopsis cinerea J.Mol.Biol., 379, 2008
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7KQN
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![BU of 7kqn by Molmil](/molmil-images/mine/7kqn) | Ternary complex of TERT (telomerase reverse transcriptase) with RNA template, DNA primer, an incoming dGTP and a downstream hybrid duplex | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Choi, W.S, Weng, P.J, Yang, W. | Deposit date: | 2020-11-17 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Flexibility of telomerase in binding the RNA template and DNA telomeric repeat. Proc.Natl.Acad.Sci.USA, 119, 2022
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7KQM
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![BU of 7kqm by Molmil](/molmil-images/mine/7kqm) | Binary complex of TERT (telomerase reverse transcriptase) with RNA/telomeric DNA hybrid | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*TP*TP*CP*TP*TP*TP*GP*TP*GP*CP*AP*CP*CP*TP*G)-3'), ... | Authors: | Choi, W.S, Weng, P.J, Yang, W. | Deposit date: | 2020-11-17 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Flexibility of telomerase in binding the RNA template and DNA telomeric repeat. Proc.Natl.Acad.Sci.USA, 119, 2022
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7KKH
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![BU of 7kkh by Molmil](/molmil-images/mine/7kkh) | P1A4 Fab in complex with ARS1620 | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, P1A4 Fab Heavy Chain, P1A4 Fab Light Chain, ... | Authors: | Basu, K, Rohweder, P.J, Zhang, Z, Bohn, M.-F, Shokat, K, Craik, C.S. | Deposit date: | 2020-10-27 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A covalent inhibitor of K-Ras(G12C) induces MHC class I presentation of haptenated peptide neoepitopes targetable by immunotherapy. Cancer Cell, 40, 2022
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1W4G
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![BU of 1w4g by Molmil](/molmil-images/mine/1w4g) | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state folding transitions | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
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7KPD
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4YYC
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![BU of 4yyc by Molmil](/molmil-images/mine/4yyc) | Crystal structure of trimethylamine methyltransferase from Sinorhizobium meliloti in complex with unknown ligand | Descriptor: | CHLORIDE ION, Putative trimethylamine methyltransferase, UNKNOWN LIGAND | Authors: | Shabalin, I.G, Porebski, P.J, Gasiorowska, O.A, Handing, K.B, Niedzialkowska, E, Cymborowski, M.T, Cooper, D.R, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-03-23 | Release date: | 2015-04-08 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Protein purification and crystallization artifacts: The tale usually not told. Protein Sci., 25, 2016
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1CQ3
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![BU of 1cq3 by Molmil](/molmil-images/mine/1cq3) | STRUCTURE OF A SOLUBLE SECRETED CHEMOKINE INHIBITOR, VCCI, FROM COWPOX VIRUS | Descriptor: | VIRAL CHEMOKINE INHIBITOR | Authors: | Carfi, A, Smith, C.A, Smolak, P.J, McGrew, J, Wiley, D.C. | Deposit date: | 1999-08-05 | Release date: | 1999-11-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of a soluble secreted chemokine inhibitor vCCI (p35) from cowpox virus. Proc.Natl.Acad.Sci.USA, 96, 1999
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7LAP
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![BU of 7lap by Molmil](/molmil-images/mine/7lap) | Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa | Descriptor: | Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-06 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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7LAO
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![BU of 7lao by Molmil](/molmil-images/mine/7lao) | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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2VCM
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![BU of 2vcm by Molmil](/molmil-images/mine/2vcm) | Isopenicillin N synthase with substrate analogue AsMCOV | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine, ... | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with a Sterically Demanding Depsipeptide Substrate Analogue. Chembiochem, 10, 2009
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1CK4
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![BU of 1ck4 by Molmil](/molmil-images/mine/1ck4) | CRYSTAL STRUCTURE OF RAT A1B1 INTEGRIN I-DOMAIN. | Descriptor: | INTEGRIN ALPHA-1 | Authors: | Nolte, M, Pepinsky, R.B, Venyaminov, S.Y, Koteliansky, V, Gotwals, P.J, Karpusas, M. | Deposit date: | 1999-04-27 | Release date: | 2000-05-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the alpha1beta1 integrin I-domain: insights into integrin I-domain function. FEBS Lett., 452, 1999
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7LGO
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![BU of 7lgo by Molmil](/molmil-images/mine/7lgo) | Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2 | Descriptor: | Non-structural protein 3 | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2 To Be Published
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2VEW
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![BU of 2vew by Molmil](/molmil-images/mine/2vew) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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3E7I
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![BU of 3e7i by Molmil](/molmil-images/mine/3e7i) | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-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: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E7T
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![BU of 3e7t by Molmil](/molmil-images/mine/3e7t) | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, 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: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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2V38
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![BU of 2v38 by Molmil](/molmil-images/mine/2v38) | Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived noeuromycin | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, ENDOGLUCANASE 5A, GLYCEROL, ... | Authors: | Gloster, T.M, Meloncelli, P.J, Money, V.A, Tarling, C.A, Davies, G.J, Withers, S.G, Stick, R.V. | Deposit date: | 2007-06-13 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases To be Published
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2VEX
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![BU of 2vex by Molmil](/molmil-images/mine/2vex) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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1BHT
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![BU of 1bht by Molmil](/molmil-images/mine/1bht) | NK1 FRAGMENT OF HUMAN HEPATOCYTE GROWTH FACTOR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR, SULFATE ION | Authors: | Ultsch, M.H, Lokker, N.A, Godowski, P.J, De Vos, A.M. | Deposit date: | 1998-06-10 | Release date: | 1998-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the NK1 fragment of human hepatocyte growth factor at 2.0 A resolution. Structure, 6, 1998
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2VEV
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![BU of 2vev by Molmil](/molmil-images/mine/2vev) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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3E67
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![BU of 3e67 by Molmil](/molmil-images/mine/3e67) | Murine inos dimer with inhibitor 4-MAP bound | Descriptor: | 4-METHYLPYRIDIN-2-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, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E6T
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![BU of 3e6t by Molmil](/molmil-images/mine/3e6t) | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, 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, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1UL9
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![BU of 1ul9 by Molmil](/molmil-images/mine/1ul9) | CGL2 ligandfree | Descriptor: | galectin-2 | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | Deposit date: | 2003-09-12 | Release date: | 2004-04-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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1ULC
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![BU of 1ulc by Molmil](/molmil-images/mine/1ulc) | CGL2 in complex with lactose | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | Deposit date: | 2003-09-12 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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