6G5P
 
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine | | 分子名称: | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | 登録日 | 2018-03-29 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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6G5N
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | | 分子名称: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | 登録日 | 2018-03-29 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.765 Å) | | 主引用文献 | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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7B0T
 | | Crystal structure of MLLT1 YEATS domain T3 mutant in complex with benzimidazole-amide based compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Ni, X, Chaikuad, A, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-21 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants.
Acs Chem.Biol., 16, 2021
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6I8L
 | | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2018-11-20 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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6I8B
 | | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | | 分子名称: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2018-11-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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4Z6H
 | | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | | 分子名称: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | | 著者 | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | 登録日 | 2015-04-05 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5A3N
 | | Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | | 分子名称: | 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | 登録日 | 2015-06-02 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
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4NYW
 | | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | | 分子名称: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-12-11 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
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4ZQL
 | | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor | | 分子名称: | 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ... | | 著者 | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | 登録日 | 2015-05-10 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
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4Z6I
 | | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | | 分子名称: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | | 著者 | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | 登録日 | 2015-04-05 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4NYX
 | | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | | 分子名称: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-12-11 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
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3QUL
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | 著者 | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | | 登録日 | 2011-02-24 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
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4CO6
 | | Crystal structure of the Nipah virus RNA free nucleoprotein- phosphoprotein complex | | 分子名称: | BROMIDE ION, CHLORIDE ION, NUCLEOPROTEIN, ... | | 著者 | Yabukarksi, F, Lawrence, P, Tarbouriech, N, Bourhis, J.M, Jensen, M.R, Ruigrok, R.W.H, Blackledge, M, Volchkov, V, Jamin, M. | | 登録日 | 2014-01-27 | | 公開日 | 2014-08-13 | | 最終更新日 | 2014-09-17 | | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | | 主引用文献 | Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone.
Nat.Struct.Mol.Biol., 21, 2014
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4JD9
 | | Contact pathway inhibitor from a sand fly | | 分子名称: | 14.5 kDa salivary protein, SULFATE ION | | 著者 | Andersen, J.F, Xu, X, Alvarenga, P. | | 登録日 | 2013-02-24 | | 公開日 | 2013-10-16 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Novel family of insect salivary inhibitors blocks contact pathway activation by binding to polyphosphate, heparin, and dextran sulfate.
Arterioscler Thromb Vasc Biol, 33, 2013
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3ZQT
 | | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | | 分子名称: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, ANDROGEN RECEPTOR, SULFATE ION, ... | | 著者 | Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A. | | 登録日 | 2011-06-10 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
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4PY6
 | | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain protein, ... | | 著者 | Fonseca, M, Tallant, C, Hutchinson, A, Savitsky, P, Krojer, T, Filippakopoulos, P, Loppnau, P, Brennan, P.E, von Delft, F, Dong, A, Josling, G.A, Duffy, M.F, Arrowsmith, C.H, Bountra, C, Hui, R, Knapp, S, Wernimont, A.K, Structural Genomics Consortium (SGC) | | 登録日 | 2014-03-26 | | 公開日 | 2014-04-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum
To be Published
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6GMC
 | | 1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole | | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, ... | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-24 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
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7FSR
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640 | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FSV
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1454310449 | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FT9
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, ALANINE, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FTA
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FSU
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784 | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, ALANINE, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FSJ
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712 | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FTB
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757 | | 分子名称: | 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FST
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z26968795 | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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