7FT3
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![BU of 7ft3 by Molmil](/molmil-images/mine/7ft3) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z291279160 | 分子名称: | 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, 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 (2.05 Å) | 主引用文献 | SDCBP PanDDA analysis group deposition To Be Published
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7G80
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![BU of 7g80 by Molmil](/molmil-images/mine/7g80) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1041785508 | 分子名称: | 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.671 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G88
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![BU of 7g88 by Molmil](/molmil-images/mine/7g88) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148747945 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(3-methylpyridin-4-yl)acetamide, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.869 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G84
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![BU of 7g84 by Molmil](/molmil-images/mine/7g84) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.811 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8B
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![BU of 7g8b by Molmil](/molmil-images/mine/7g8b) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100643660 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N,1-dimethyl-1H-indole-3-carboxamide, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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4OZD
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![BU of 4ozd by Molmil](/molmil-images/mine/4ozd) | Crystal structure of PdSP15a | 分子名称: | 14.4 kDa salivary protein | 著者 | Andersen, J.F, Alvarenga, P.H. | 登録日 | 2014-02-14 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Protection against cutaneous leishmaniasis in non-human primates by immunization with an insect salivary protein To be published
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6HPW
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![BU of 6hpw by Molmil](/molmil-images/mine/6hpw) | Crystal structure of ENL (MLLT1) in complex with compound 20 | 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 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-09-22 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6GMB
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![BU of 6gmb by Molmil](/molmil-images/mine/6gmb) | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | 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, Structural Genomics Consortium (SGC) | 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 (1.35 Å) | 主引用文献 | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate To Be Published
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4NYV
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![BU of 4nyv by Molmil](/molmil-images/mine/4nyv) | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand | 分子名称: | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, 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 (1.83 Å) | 主引用文献 | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand TO BE PUBLISHED
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4A16
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![BU of 4a16 by Molmil](/molmil-images/mine/4a16) | Structure of mouse Acetylcholinesterase complex with Huprine derivative | 分子名称: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | 登録日 | 2011-09-14 | 公開日 | 2012-03-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography. Chemmedchem, 7, 2012
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4GPJ
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![BU of 4gpj by Molmil](/molmil-images/mine/4gpj) | Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | 分子名称: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-08-21 | 公開日 | 2012-10-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4, 2013
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4D80
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![BU of 4d80 by Molmil](/molmil-images/mine/4d80) | Metallosphera sedula Vps4 crystal structure | 分子名称: | AAA ATPASE, CENTRAL DOMAIN PROTEIN | 著者 | Caillat, C, Macheboeuf, P, Wu, Y, McCarthy, A.A, Boeri-Erba, E, Effantin, G, Gottlinger, H.G, Weissenhorn, W, Renesto, P. | 登録日 | 2014-12-02 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Asymmetric Ring Structure of Vps4 Required for Escrt-III Disassembly. Nat.Commun., 6, 2015
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7B10
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![BU of 7b10 by Molmil](/molmil-images/mine/7b10) | Crystal structure of MLLT1 YEATS domain T1 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, IODIDE ION, ... | 著者 | Chaikuad, A, Ni, X, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-23 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants. Acs Chem.Biol., 16, 2021
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7G86
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![BU of 7g86 by Molmil](/molmil-images/mine/7g86) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1137725943 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(1H-indol-4-yl)methyl]ethanamine, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8H
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![BU of 7g8h by Molmil](/molmil-images/mine/7g8h) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198180782 | 分子名称: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8E
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![BU of 7g8e by Molmil](/molmil-images/mine/7g8e) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104479710 | 分子名称: | 1-(1H-benzimidazol-2-yl)methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8I
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![BU of 7g8i by Molmil](/molmil-images/mine/7g8i) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198316457 | 分子名称: | 4,4-difluorocyclohexane-1-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.468 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8K
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![BU of 7g8k by Molmil](/molmil-images/mine/7g8k) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1217131798 | 分子名称: | (3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8S
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![BU of 7g8s by Molmil](/molmil-images/mine/7g8s) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1270393711 | 分子名称: | 5-(methoxymethyl)-1,2-oxazole-3-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G90
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![BU of 7g90 by Molmil](/molmil-images/mine/7g90) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509195674 | 分子名称: | 4-[(3S)-piperidin-3-yl]-1H-indole, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.911 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G94
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![BU of 7g94 by Molmil](/molmil-images/mine/7g94) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1575337975 | 分子名称: | (2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G93
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![BU of 7g93 by Molmil](/molmil-images/mine/7g93) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1565771450 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G81
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![BU of 7g81 by Molmil](/molmil-images/mine/7g81) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512 | 分子名称: | 1-(2-ethoxyphenyl)piperazine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G89
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![BU of 7g89 by Molmil](/molmil-images/mine/7g89) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1192341021 | 分子名称: | 1-(5-amino-2H-isoindol-2-yl)ethan-1-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G9I
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![BU of 7g9i by Molmil](/molmil-images/mine/7g9i) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102253-001 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(2-methylphenyl)methyl]acetamide, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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