2WP5
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![BU of 2wp5 by Molmil](/molmil-images/mine/2wp5) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00065414) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | Deposit date: | 2009-08-03 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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1S4R
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![BU of 1s4r by Molmil](/molmil-images/mine/1s4r) | Structure of a reaction intermediate in the photocycle of PYP extracted by a SVD-driven analysis | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | Deposit date: | 2004-01-17 | Release date: | 2004-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data Proc.Natl.Acad.Sci.USA, 101, 2004
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1SGE
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![BU of 1sge by Molmil](/molmil-images/mine/1sge) | GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
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1S4S
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![BU of 1s4s by Molmil](/molmil-images/mine/1s4s) | Reaction Intermediate in the Photocycle of PYP, intermediate occupied between 100 micro-seconds to 5 milli-seconds | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | Deposit date: | 2004-01-17 | Release date: | 2004-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data Proc.Natl.Acad.Sci.USA, 101, 2004
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3K51
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![BU of 3k51 by Molmil](/molmil-images/mine/3k51) | Crystal Structure of DcR3-TL1A complex | Descriptor: | Decoy receptor 3, Tumor necrosis factor ligand superfamily member 15, secreted form | Authors: | Zhan, C, Patskovsky, Y, Yan, Q, Li, Z, Ramagopal, U.A, Nathenson, S.G, Almo, S.C. | Deposit date: | 2009-10-06 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Decoy Strategies: The Structure of TL1A:DcR3 Complex. Structure, 19, 2011
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2WPC
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![BU of 2wpc by Molmil](/molmil-images/mine/2wpc) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357) | Descriptor: | (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | Deposit date: | 2009-08-05 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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2WPE
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![BU of 2wpe by Molmil](/molmil-images/mine/2wpe) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | Deposit date: | 2009-08-06 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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2QDF
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![BU of 2qdf by Molmil](/molmil-images/mine/2qdf) | Structure of N-terminal domain of E. Coli YaeT | Descriptor: | MAGNESIUM ION, Outer membrane protein assembly factor yaeT | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | Deposit date: | 2007-06-20 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine. Science, 317, 2007
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2QCZ
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![BU of 2qcz by Molmil](/molmil-images/mine/2qcz) | Structure of N-terminal domain of E. Coli YaeT | Descriptor: | Outer membrane protein assembly factor yaeT | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | Deposit date: | 2007-06-20 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine. Science, 317, 2007
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2XG5
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![BU of 2xg5 by Molmil](/molmil-images/mine/2xg5) | E. coli P pilus chaperone-subunit complex PapD-PapH bound to pilus biogenesis inhibitor, pilicide 5d | Descriptor: | (2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSULFANYL)-4-(NAPHTHALEN-1-YLMETHYL)-2-OXOPYRIDIN-1(2H)-YL]-3-PHENYLPROPANOIC ACID, (2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD, ... | Authors: | Remaut, H, Phan, G, Buelens, F, Chorell, E, Pinkner, J.S, Edvinsson, S, Almqvist, F, Hultgren, S.J, Waksman, G. | Deposit date: | 2010-05-30 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of C-2 Substituted Thiazolo and Dihydrothiazolo Ring-Fused 2-Pyridones: Pilicides with Increased Antivirulence Activity. J.Med.Chem., 53, 2010
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2XG4
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![BU of 2xg4 by Molmil](/molmil-images/mine/2xg4) | E. coli P pilus chaperone-subunit complex PapD-PapH bound to pilus biogenesis inhibitor, pilicide 2c | Descriptor: | (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD, COBALT (II) ION, ... | Authors: | Remaut, H, Phan, G, Buelens, F, Chorell, E, Pinkner, J.S, Edvinsson, S, Almqvist, F, Hultgren, S.J, Waksman, G. | Deposit date: | 2010-05-30 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Synthesis of C-2 Substituted Thiazolo and Dihydrothiazolo Ring-Fused 2-Pyridones: Pilicides with Increased Antivirulence Activity. J.Med.Chem., 53, 2010
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2R7Q
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![BU of 2r7q by Molmil](/molmil-images/mine/2r7q) | Crystal Structure of VP1 apoenzyme of Rotavirus SA11 (C-terminal hexahistidine-tagged) | Descriptor: | RNA-dependent RNA polymerase | Authors: | Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L. | Deposit date: | 2007-09-09 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1. Structure, 16, 2008
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2R7R
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![BU of 2r7r by Molmil](/molmil-images/mine/2r7r) | Crystal Structure of Rotavirus SA11 VP1/RNA (UGUGACC) complex | Descriptor: | RNA (5'-R(*UP*GP*UP*GP*AP*CP*C)-3'), RNA-dependent RNA polymerase | Authors: | Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L. | Deposit date: | 2007-09-09 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1. Structure, 16, 2008
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2R7T
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![BU of 2r7t by Molmil](/molmil-images/mine/2r7t) | Crystal Structure of Rotavirus SA11 VP1/RNA (UGUGAACC) Complex | Descriptor: | RNA (5'-R(*UP*GP*UP*GP*AP*AP*CP*C)-3'), RNA-dependent RNA polymerase | Authors: | Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L. | Deposit date: | 2007-09-10 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1. Structure, 16, 2008
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3MNW
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![BU of 3mnw by Molmil](/molmil-images/mine/3mnw) | Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment with a gp41 MPER-derived peptide in a helical conformation | Descriptor: | 1,2-ETHANEDIOL, ANTI-HIV-1 ANTIBODY 13H11 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 13H11 LIGHT CHAIN, ... | Authors: | Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F. | Deposit date: | 2010-04-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Non-Neutralizing HIV-1 gp41 Envelope Antibody Demonstrates Neutralization Mechanism of gp41 Antibodies To be Published
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3MOB
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![BU of 3mob by Molmil](/molmil-images/mine/3mob) | Crystal structure of the neutralizing HIV antibody 2F5 Fab fragment (recombinantly produced Fab) with 11 aa gp41 MPER-derived peptide | Descriptor: | ANTI-HIV-1 ANTIBODY 2F5 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 2F5 LIGHT CHAIN, gp41 MPER-derived peptide | Authors: | Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F. | Deposit date: | 2010-04-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of a Non-Neutralizing HIV-1 gp41 Envelope Antibody Demonstrates Neutralization Mechanism of gp41 Antibodies To be Published
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2R7O
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![BU of 2r7o by Molmil](/molmil-images/mine/2r7o) | Crystal Structure of VP1 apoenzyme of Rotavirus SA11 (N-terminal hexahistidine-tagged) | Descriptor: | RNA-dependent RNA polymerase | Authors: | Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L. | Deposit date: | 2007-09-09 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1. Structure, 16, 2008
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1A02
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![BU of 1a02 by Molmil](/molmil-images/mine/1a02) | STRUCTURE OF THE DNA BINDING DOMAINS OF NFAT, FOS AND JUN BOUND TO DNA | Descriptor: | AP-1 FRAGMENT FOS, AP-1 FRAGMENT JUN, DNA (5'-D(*DAP*DAP*DCP*DTP*DAP*DTP*DGP*DAP*DAP*DAP*DCP*DAP*DAP*DAP*DTP*DTP*DTP*DTP*DCP*DC)-3'), ... | Authors: | Chen, L, Glover, J.N.M, Hogan, P.G, Rao, A, Harrison, S.C. | Deposit date: | 1997-12-08 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the DNA-binding domains from NFAT, Fos and Jun bound specifically to DNA. Nature, 392, 1998
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3MOA
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![BU of 3moa by Molmil](/molmil-images/mine/3moa) | Crystal structure of the neutralizing HIV antibody 2F5 Fab fragment (recombinantly produced Fab) with 17 aa gp41 MPER-derived peptide | Descriptor: | ANTI-HIV-1 ANTIBODY 2F5 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 2F5 LIGHT CHAIN, gp41 MPER-derived peptide | Authors: | Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F. | Deposit date: | 2010-04-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of a Non-Neutralizing HIV-1 gp41 Envelope Antibody Demonstrates Neutralization Mechanism of gp41 Antibodies To be Published
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5TZY
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![BU of 5tzy by Molmil](/molmil-images/mine/5tzy) | GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ... | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | Deposit date: | 2016-11-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
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4AJE
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![BU of 4aje by Molmil](/molmil-images/mine/4aje) | rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4CQJ
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![BU of 4cqj by Molmil](/molmil-images/mine/4cqj) | |
2PKD
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![BU of 2pkd by Molmil](/molmil-images/mine/2pkd) | Crystal structure of CD84: Insite into SLAM family function | Descriptor: | CHLORIDE ION, SLAM family member 5 | Authors: | Yan, Q, Malashkevich, V.N, Fedorov, A, Cao, E, Lary, J.W, Cole, J.L, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-04-17 | Release date: | 2007-06-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | Structure of CD84 provides insight into SLAM family function. Proc.Natl.Acad.Sci.Usa, 104, 2007
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7M6T
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![BU of 7m6t by Molmil](/molmil-images/mine/7m6t) | Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding | Descriptor: | Elongin-B, Elongin-C, Non-canonical peptide F3, ... | Authors: | Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E. | Deposit date: | 2021-03-26 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.194 Å) | Cite: | Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands. Nat Commun, 12, 2021
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2VVG
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![BU of 2vvg by Molmil](/molmil-images/mine/2vvg) | Crystal Structure of the G.intestinalis Kinesin 2 GiKIN2a Motor Domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-2, MAGNESIUM ION | Authors: | Hoeng, J.C, Loewe, J, Dawson, S.C, Cande, W.Z, Sagolla, M.S, Mancuso, J.J. | Deposit date: | 2008-06-08 | Release date: | 2008-07-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Resolution Crystal Structure and in Vivo Function of a Kinesin-2 Homologue in Giardia Intestinalis. Mol.Biol.Cell, 19, 2008
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