6G35
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![BU of 6g35 by Molmil](/molmil-images/mine/6g35) | Crystal structure of haspin in complex with 5-bromotubercidin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-bromotubercidin, BROMIDE ION, ... | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-24 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G8J
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![BU of 6g8j by Molmil](/molmil-images/mine/6g8j) | 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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6G39
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![BU of 6g39 by Molmil](/molmil-images/mine/6g39) | Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, IODIDE ION, ... | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-24 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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5CE6
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![BU of 5ce6 by Molmil](/molmil-images/mine/5ce6) | N-terminal domain of FACT complex subunit SPT16 from Cicer arietinum (chickpea) | Descriptor: | ACETATE ION, FACT-Spt16, POTASSIUM ION, ... | Authors: | Are, V.N, Ghosh, B, Kumar, A, Makde, R. | Deposit date: | 2015-07-06 | Release date: | 2016-04-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and dynamics of Spt16N-domain of FACT complex from Cicer arietinum. Int.J.Biol.Macromol., 88, 2016
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6K8G
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![BU of 6k8g by Molmil](/molmil-images/mine/6k8g) | H/D exchanged Hen egg-white lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Kita, A, Morimoto, Y. | Deposit date: | 2019-06-11 | Release date: | 2020-06-17 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state. J.Appl.Crystallogr., 53, 2020
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6JSG
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![BU of 6jsg by Molmil](/molmil-images/mine/6jsg) | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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1AOR
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![BU of 1aor by Molmil](/molmil-images/mine/1aor) | STRUCTURE OF A HYPERTHERMOPHILIC TUNGSTOPTERIN ENZYME, ALDEHYDE FERREDOXIN OXIDOREDUCTASE | Descriptor: | ALDEHYDE FERREDOXIN OXIDOREDUCTASE, FE (III) ION, IRON/SULFUR CLUSTER, ... | Authors: | Chan, M.K, Mukund, S, Kletzin, A, Adams, M.W.W, Rees, D.C. | Deposit date: | 1995-02-13 | Release date: | 1995-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a hyperthermophilic tungstopterin enzyme, aldehyde ferredoxin oxidoreductase. Science, 267, 1995
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3TFJ
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![BU of 3tfj by Molmil](/molmil-images/mine/3tfj) | DMSP-dependent demethylase from P. ubique - with cofactor THF | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, ACETATE ION, GLYCEROL, ... | Authors: | Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N. | Deposit date: | 2011-08-15 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique. Protein Sci., 21, 2012
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5CQK
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![BU of 5cqk by Molmil](/molmil-images/mine/5cqk) | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, SODIUM ION, ... | Authors: | Shi, K, Kurahashi, K, Aihara, H. | Deposit date: | 2015-07-21 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain. J.Biol.Chem., 290, 2015
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6H10
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![BU of 6h10 by Molmil](/molmil-images/mine/6h10) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 To be published
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3TFH
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![BU of 3tfh by Molmil](/molmil-images/mine/3tfh) | DMSP-dependent demethylase from P. ubique - apo | Descriptor: | GLYCEROL, GcvT-like Aminomethyltransferase protein, SODIUM ION | Authors: | Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N. | Deposit date: | 2011-08-15 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique. Protein Sci., 21, 2012
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6ILX
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![BU of 6ilx by Molmil](/molmil-images/mine/6ilx) | Crystal structure of PETase W159F mutant from Ideonella sakaiensis | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION | Authors: | Liu, C.C, Shi, C. | Deposit date: | 2018-10-20 | Release date: | 2019-03-27 | Last modified: | 2020-09-09 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional characterization of polyethylene terephthalate hydrolase from Ideonella sakaiensis. Biochem. Biophys. Res. Commun., 508, 2019
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6GRP
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![BU of 6grp by Molmil](/molmil-images/mine/6grp) | Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | Descriptor: | 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-12 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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3TF9
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![BU of 3tf9 by Molmil](/molmil-images/mine/3tf9) | Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120 under 1 atm of xenon | Descriptor: | Alr2278 protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Winter, M.B, Herzik Jr, M.A, Kuriyan, J, Marletta, M.A. | Deposit date: | 2011-08-15 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5901 Å) | Cite: | Tunnels modulate ligand flux in a heme nitric oxide/oxygen binding (H-NOX) domain. Proc.Natl.Acad.Sci.USA, 108, 2011
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3TFS
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![BU of 3tfs by Molmil](/molmil-images/mine/3tfs) | Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CFH)PP in the active site: Stereoselective binding of (S) isomer | Descriptor: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | Deposit date: | 2011-08-16 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta. Chembiochem, 13, 2012
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1VBY
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![BU of 1vby by Molmil](/molmil-images/mine/1vby) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, and Mn2+ bound | Descriptor: | Hepatitis Delta virus ribozyme, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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3RJH
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![BU of 3rjh by Molmil](/molmil-images/mine/3rjh) | Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG:dA at primer terminus and dG:dCMP(CF2)PPin the active site | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | Deposit date: | 2011-04-15 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion Proc.Natl.Acad.Sci.USA, 109, 2012
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6G36
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![BU of 6g36 by Molmil](/molmil-images/mine/6g36) | Crystal structure of haspin in complex with 5-chlorotubercidin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chlorotubercidin, COBALT (II) ION, ... | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-24 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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3R69
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![BU of 3r69 by Molmil](/molmil-images/mine/3r69) | Molecular analysis of the interaction of the HDL-receptor SR-BI with the PDZ3 domain of its adaptor protein PDZK1 | Descriptor: | CITRIC ACID, Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Scavenger receptor class B member 1 | Authors: | Kocher, O, Birrane, G, Krieger, M. | Deposit date: | 2011-03-21 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Identification of the PDZ3 Domain of the Adaptor Protein PDZK1 as a Second, Physiologically Functional Binding Site for the C Terminus of the High Density Lipoprotein Receptor Scavenger Receptor Class B Type I. J.Biol.Chem., 286, 2011
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3RAY
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![BU of 3ray by Molmil](/molmil-images/mine/3ray) | Crystal structure of Methyltransferase domain of human PR domain-containing protein 11 | Descriptor: | CHLORIDE ION, PR domain-containing protein 11, SODIUM ION, ... | Authors: | Dong, A, Zeng, H, Loppnau, P, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-03-28 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of Methyltransferase domain of human PR domain-containing protein 11 To be Published
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3BOV
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![BU of 3bov by Molmil](/molmil-images/mine/3bov) | Crystal structure of the receptor binding domain of mouse PD-L2 | Descriptor: | FORMIC ACID, Programmed cell death 1 ligand 2, SODIUM ION | Authors: | Lazar-Molnar, E, Ramagopal, U, Cao, E, Toro, R, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-12-17 | Release date: | 2008-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2. Proc.Natl.Acad.Sci.USA, 105, 2008
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3RC3
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![BU of 3rc3 by Molmil](/molmil-images/mine/3rc3) | Human Mitochondrial Helicase Suv3 | Descriptor: | ATP-dependent RNA helicase SUPV3L1, mitochondrial, AZIDE ION, ... | Authors: | Dauter, Z, Jedrzejczak, R, Dauter, M, Szczesny, R, Stepien, P. | Deposit date: | 2011-03-30 | Release date: | 2011-05-11 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Human Suv3 protein reveals unique features among SF2 helicases. Acta Crystallogr.,Sect.D, 67, 2011
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5COQ
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![BU of 5coq by Molmil](/molmil-images/mine/5coq) | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-20 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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3RJF
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![BU of 3rjf by Molmil](/molmil-images/mine/3rjf) | Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG at template position paired with non-hydrolyzable dATP analog (dApCPP) | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | Deposit date: | 2011-04-15 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion Proc.Natl.Acad.Sci.USA, 109, 2012
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1V75
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![BU of 1v75 by Molmil](/molmil-images/mine/1v75) | Crystal structure of hemoglobin D from the Aldabra giant tortoise (Geochelone gigantea) at 2.0 A resolution | Descriptor: | Hemoglobin A and D beta chain, Hemoglobin D alpha chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kuwada, T, Hasegawa, T, Satoh, I, Ishikawa, K, Shishikura, F. | Deposit date: | 2003-12-12 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystallization and preliminary X-ray diffraction study of hemoglobin D from the Aldabra giant tortoise, Geochelone gigantea. Protein Pept.Lett., 10, 2003
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