9BBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bbh by Molmil](/molmil-images/mine/9bbh) | Co-crystal structure of human DDB1 bound to fragment UB028670 | 分子名称: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028670 To be published
|
|
9BBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bbg by Molmil](/molmil-images/mine/9bbg) | Co-crystal structure of human DDB1 bound to fragment UB028671 | 分子名称: | 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028671 To be published
|
|
6Q3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q3u by Molmil](/molmil-images/mine/6q3u) | Gly52Ala mutant of arginine-bound ArgBP from T. maritima | 分子名称: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | 著者 | Balasco, N, Smaldone, G, Ruggiero, A, Vitagliano, L. | 登録日 | 2018-12-04 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability. Sci Rep, 9, 2019
|
|
9AVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ava by Molmil](/molmil-images/mine/9ava) | Co-crystal structure of human TREX1 in complex with an inhibitor | 分子名称: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ... | 著者 | Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-01 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
|
|
9BBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bbi by Molmil](/molmil-images/mine/9bbi) | Co-crystal structure of human DDB1 bound to fragment UB028669 | 分子名称: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
|
|
9BBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bbe by Molmil](/molmil-images/mine/9bbe) | Co-crystal structure of human DDB1 bound to fragment UB028668 | 分子名称: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028668 To be published
|
|
6JBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jbm by Molmil](/molmil-images/mine/6jbm) | |
8VL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vl7 by Molmil](/molmil-images/mine/8vl7) | Co-crystal structure of human TREX1 in complex with an inhibitor | 分子名称: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | 登録日 | 2024-01-11 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
|
|
8UWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uwp by Molmil](/molmil-images/mine/8uwp) | Crystal structure of SETDB1 Tudor domain in complex with MR46747 | 分子名称: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | 著者 | Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2023-11-07 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with MR46747 To be published
|
|
6NM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nm4 by Molmil](/molmil-images/mine/6nm4) | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | 分子名称: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | 著者 | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2019-01-10 | 公開日 | 2019-02-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of a chemical probe for PRDM9. Nat Commun, 10, 2019
|
|
1K6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k6f by Molmil](/molmil-images/mine/1k6f) | |
9BHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bhs by Molmil](/molmil-images/mine/9bhs) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-21 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound To be published
|
|
8W3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w3v by Molmil](/molmil-images/mine/8w3v) | Crystal structure of human WDR41 | 分子名称: | WD repeat-containing protein 41 | 著者 | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-02-22 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of human WDR41 To be published
|
|
9C61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c61 by Molmil](/molmil-images/mine/9c61) | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 | 分子名称: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION | 著者 | Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | 登録日 | 2024-06-07 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 To be published
|
|
9BHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bhr by Molmil](/molmil-images/mine/9bhr) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-21 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound To be published
|
|
1LSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lsq by Molmil](/molmil-images/mine/1lsq) | RIBONUCLEASE A WITH ASN 67 REPLACED BY A BETA-ASPARTYL RESIDUE | 分子名称: | RIBONUCLEASE A, SULFATE ION | 著者 | Esposito, L, Sica, F, Vitagliano, L, Zagari, A, Mazzarella, L. | 登録日 | 1996-06-25 | 公開日 | 1997-01-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Deamidation in proteins: the crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67. J.Mol.Biol., 257, 1996
|
|
1LA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1la6 by Molmil](/molmil-images/mine/1la6) | The crystal structure of Trematomus newnesi hemoglobin in a partial hemichrome state | 分子名称: | CARBON MONOXIDE, Hemoglobin alpha-1 chain, Hemoglobin beta-1/2 chain, ... | 著者 | Riccio, A, Vitagliano, L, di Prisco, G, Zagari, A, Mazzarella, L. | 登録日 | 2002-03-28 | 公開日 | 2002-07-31 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of a tetrameric hemoglobin in a partial hemichrome state Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1DY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dy5 by Molmil](/molmil-images/mine/1dy5) | Deamidated derivative of bovine pancreatic ribonuclease | 分子名称: | ACETATE ION, ISOPROPYL ALCOHOL, RIBONUCLEASE A, ... | 著者 | Esposito, L, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L. | 登録日 | 2000-01-27 | 公開日 | 2000-03-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (0.87 Å) | 主引用文献 | The Ultrahigh Resolution Crystal Structure of Ribonuclease A Containing an Isoaspartyl Residue: Hydration and Sterochemical Analysis. J.Mol.Biol., 297, 2000
|
|
8DYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dys by Molmil](/molmil-images/mine/8dys) | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) | 分子名称: | 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ... | 著者 | Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2022-08-05 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) To Be Published
|
|
3NG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ng6 by Molmil](/molmil-images/mine/3ng6) | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | 分子名称: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | 登録日 | 2010-06-11 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins. J.Biol.Chem., 285, 2010
|
|
8SWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swj by Molmil](/molmil-images/mine/8swj) | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | 分子名称: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | 著者 | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2023-05-18 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 To be published
|
|
8T5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t5i by Molmil](/molmil-images/mine/8t5i) | Crystal structure of human WDR5 in complex with MR4397 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | 著者 | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-13 | 公開日 | 2023-08-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of human WDR5 in complex with MR4397 To be published
|
|
8SHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8shj by Molmil](/molmil-images/mine/8shj) | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | 分子名称: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | 著者 | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2023-04-14 | 公開日 | 2023-07-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
|
|
1A3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a3i by Molmil](/molmil-images/mine/1a3i) | X-RAY CRYSTALLOGRAPHIC DETERMINATION OF A COLLAGEN-LIKE PEPTIDE WITH THE REPEATING SEQUENCE (PRO-PRO-GLY) | 分子名称: | ACETIC ACID, COLLAGEN-LIKE PEPTIDE | 著者 | Kramer, R.Z, Vitagliano, L, Bella, J, Berisio, R, Mazzarella, L, Brodsky, B, Zagari, A, Berman, H.M. | 登録日 | 1998-01-22 | 公開日 | 1998-05-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | X-ray crystallographic determination of a collagen-like peptide with the repeating sequence (Pro-Pro-Gly). J.Mol.Biol., 280, 1998
|
|
8TBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tbx by Molmil](/molmil-images/mine/8tbx) | Crystal structure of human DDX1 helicase in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ... | 著者 | Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | 登録日 | 2023-06-29 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Crystal structure of human DDX1 helicase in complex with ADP To be published
|
|