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2WTI
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BU of 2wti by Molmil
CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR
Descriptor: 1,2-ETHANEDIOL, 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE, CHECKPOINT KINASE 2, ...
Authors:Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2009-09-16
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
2UVZ
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Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine
Descriptor: (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2WH7
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The partial structure of a group A streptpcoccal phage-encoded tail fibre hyaluronate lyase Hylp2
Descriptor: HYALURONIDASE-PHAGE ASSOCIATED
Authors:Martinez-Fleites, C, Black, G.W, Turkenburg, J.P, Smith, N.L, Taylor, E.J.
Deposit date:2009-05-01
Release date:2009-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of Two Truncated Phage-Tail Hyaluronate Lyases from Streptococcus Pyogenes Serotype M1.
Acta Crystallogr.,Sect.F, 65, 2009
2WMT
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMQ
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMU
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BU of 2wmu by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMV
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMW
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2VO7
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Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine
Descriptor: 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2X03
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BU of 2x03 by Molmil
The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase Y253A mutant
Descriptor: MAGNESIUM ION, PUTATIVE SECRETED LYASE
Authors:Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W.
Deposit date:2009-12-04
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
2VO6
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BU of 2vo6 by Molmil
Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine
Descriptor: 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VNW
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BU of 2vnw by Molmil
Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine
Descriptor: 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VO3
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BU of 2vo3 by Molmil
Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine
Descriptor: 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2WTC
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BU of 2wtc by Molmil
CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR
Descriptor: 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2009-09-15
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
2WTJ
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CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ...
Authors:Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2009-09-16
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
2WSB
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BU of 2wsb by Molmil
Crystal structure of the short-chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD
Descriptor: GALACTITOL DEHYDROGENASE, MAGNESIUM ION, N-PROPANOL, ...
Authors:Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
Deposit date:2009-09-04
Release date:2010-04-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
3KSV
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BU of 3ksv by Molmil
Hypothetical protein from Leishmania major
Descriptor: Uncharacterized protein, ZINC ION
Authors:Han, G.W, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-23
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hypothetical protein (HIT family) from Leishmania major
To be Published
2C1B
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BU of 2c1b by Molmil
Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Descriptor: (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR
Authors:Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
3KPA
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BU of 3kpa by Molmil
Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
Descriptor: probable Ubiquitin fold modifier conjugating enzyme
Authors:Han, G.W, Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-16
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
To be Published
2BH5
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BU of 2bh5 by Molmil
X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 295 K.
Descriptor: CYTOCHROME C-550, HEME C
Authors:Worrall, J.A.R, van Roon, A.-M.M, Ubbink, M, Canters, G.W.
Deposit date:2005-01-07
Release date:2005-05-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding.
FEBS J., 272, 2005
3LQF
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BU of 3lqf by Molmil
Crystal structure of the short-chain dehydrogenase Galactitol-Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD and erythritol
Descriptor: Galactitol dehydrogenase, MAGNESIUM ION, MESO-ERYTHRITOL, ...
Authors:Carius, Y, Christian, H, Faust, A, Kornberger, P, Zander, U, Klink, B.U, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
Deposit date:2010-02-09
Release date:2010-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into substrate differentiation of the sugar-metabolizing enzyme galactitol dehydrogenase from Rhodobacter sphaeroides D.
J.Biol.Chem., 285, 2010
2C1A
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BU of 2c1a by Molmil
Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Authors:Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
2C7E
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BU of 2c7e by Molmil
REVISED ATOMIC STRUCTURE FITTING INTO A GROEL(D398A)-ATP7 CRYO-EM MAP (EMD 1047)
Descriptor: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ranson, N.A, Farr, G.W, Roseman, A.M, Gowen, B, Fenton, W.A, Horwich, A.L, Saibil, H.R.
Deposit date:2005-11-22
Release date:2006-02-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (14.9 Å)
Cite:ATP-Bound States of Groel Captured by Cryo-Electron Microscopy
Cell(Cambridge,Mass.), 107, 2001
2C7D
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BU of 2c7d by Molmil
Fitted coordinates for GroEL-ADP7-GroES Cryo-EM complex (EMD-1181)
Descriptor: 10 KDA CHAPERONIN MOLECULE: GROES, PROTEIN CPN10, GROES PROTEIN, ...
Authors:Ranson, N.A, Clare, D.K, Farr, G.W, Houldershaw, D, Horwich, A.L, Saibil, H.R.
Deposit date:2005-11-22
Release date:2006-01-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Allosteric Signalling of ATP Hydrolysis in Groel-Groes Complexes.
Nat.Struct.Mol.Biol., 13, 2006
2C3F
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BU of 2c3f by Molmil
The structure of a group A streptococcal phage-encoded tail-fibre showing hyaluronan lyase activity.
Descriptor: HYALURONIDASE, PHAGE ASSOCIATED, SODIUM ION
Authors:Taylor, E.J, Smith, N.L, Linsay, A.-M, Charnock, S.J, Turkenburg, J.P, Dodson, E.J, Davies, G.J, Black, G.W.
Deposit date:2005-10-06
Release date:2005-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure of a Group a Streptococcal Phage-Encoded Virulence Factor Reveals Catalytically Active Triple-Stranded Beta-Helix
Proc.Natl.Acad.Sci.USA, 102, 2005

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數據於2024-06-12公開中

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