6R5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r5u by Molmil](/molmil-images/mine/6r5u) | |
6R7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r7o by Molmil](/molmil-images/mine/6r7o) | Crystal structure of the central region of human cohesin subunit STAG1 | 分子名称: | Cohesin subunit SA-1 | 著者 | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-03-29 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
|
|
6O13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o13 by Molmil](/molmil-images/mine/6o13) | |
6NNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nne by Molmil](/molmil-images/mine/6nne) | Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine | 分子名称: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2019-01-14 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.595 Å) | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6R5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r5o by Molmil](/molmil-images/mine/6r5o) | |
7U0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u0y by Molmil](/molmil-images/mine/7u0y) | |
6R5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r5i by Molmil](/molmil-images/mine/6r5i) | |
7U4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u4o by Molmil](/molmil-images/mine/7u4o) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | 分子名称: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | 著者 | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | 登録日 | 2022-02-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
|
|
6RA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ra7 by Molmil](/molmil-images/mine/6ra7) | Human tnik in complex with compound 9 | 分子名称: | 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ... | 著者 | Read, J.A. | 登録日 | 2019-04-05 | 公開日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
|
|
7ULW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ulw by Molmil](/molmil-images/mine/7ulw) | |
6RA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ra5 by Molmil](/molmil-images/mine/6ra5) | Human tnik in complex with compound 9 | 分子名称: | 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase | 著者 | Read, J.A. | 登録日 | 2019-04-05 | 公開日 | 2020-05-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
|
|
5G3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g3r by Molmil](/molmil-images/mine/5g3r) | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc | 分子名称: | 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ... | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | 登録日 | 2016-04-30 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
|
|
6R5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r5r by Molmil](/molmil-images/mine/6r5r) | |
6OAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oak by Molmil](/molmil-images/mine/6oak) | Structure of human PARG complexed with JA2131 | 分子名称: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | 著者 | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | 登録日 | 2019-03-16 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
|
|
6RBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rbj by Molmil](/molmil-images/mine/6rbj) | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | 分子名称: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ... | 著者 | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2019-04-10 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | 主引用文献 | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol To Be Published
|
|
6O9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o9m by Molmil](/molmil-images/mine/6o9m) | Structure of the human apo TFIIH | 分子名称: | CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ... | 著者 | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | 登録日 | 2019-03-14 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases. Nat.Struct.Mol.Biol., 26, 2019
|
|
6OA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oa0 by Molmil](/molmil-images/mine/6oa0) | Structure of human PARG complexed with JA2-9 | 分子名称: | 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid, Poly(ADP-ribose) glycohydrolase | 著者 | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | 登録日 | 2019-03-15 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
|
|
6OAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oac by Molmil](/molmil-images/mine/6oac) | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | 分子名称: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Burke, J.E, McPhail, J.A. | 登録日 | 2019-03-15 | 公開日 | 2019-06-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase. J.Med.Chem., 62, 2019
|
|
6OBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6obu by Molmil](/molmil-images/mine/6obu) | PP1 Y134K in complex with Microcystin LR | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | 登録日 | 2019-03-21 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | SDS22 selectively recognizes and traps metal-deficient inactive PP1. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7UC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uc6 by Molmil](/molmil-images/mine/7uc6) | Stat5a Core in complex with Compound 12 | 分子名称: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-16 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
|
|
7UBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ubt by Molmil](/molmil-images/mine/7ubt) | Stat5a Core in complex with Compound 18 | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-15 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
|
|
7UC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uc7 by Molmil](/molmil-images/mine/7uc7) | Stat5a Core in complex with Compound 17 | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-16 | 公開日 | 2023-02-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
|
|
5I35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i35 by Molmil](/molmil-images/mine/5i35) | Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity) | 分子名称: | Atypical kinase ADCK3, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Bingman, C.A, Stefely, J.A, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | 登録日 | 2016-02-09 | 公開日 | 2016-08-17 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Cerebellar Ataxia and Coenzyme Q Deficiency through Loss of Unorthodox Kinase Activity. Mol.Cell, 63, 2016
|
|
2BDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bdz by Molmil](/molmil-images/mine/2bdz) | Mexicain from Jacaratia mexicana | 分子名称: | Mexicain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | 著者 | Gavira, J.A, Oliver-Salvador, M.C, Gonzalez-Ramirez, L.A, Soriano-Garcia, M, Garcia-Ruiz, J.M. | 登録日 | 2005-10-21 | 公開日 | 2006-10-03 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystallographic structure of Mexicain from Jacaratia mexicana To be Published
|
|
5G1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g1m by Molmil](/molmil-images/mine/5g1m) | Crystal structure of NagZ from Pseudomonas aeruginosa | 分子名称: | ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ... | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | 登録日 | 2016-03-28 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
|
|