2YEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yex by Molmil](/molmil-images/mine/2yex) | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | 分子名称: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | 登録日 | 2011-03-31 | 公開日 | 2012-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4BZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bzd by Molmil](/molmil-images/mine/4bzd) | |
4CKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ckr by Molmil](/molmil-images/mine/4ckr) | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | 著者 | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2014-01-07 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor. Acs Chem.Biol., 8, 2013
|
|
1WWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wwj by Molmil](/molmil-images/mine/1wwj) | crystal structure of KaiB from Synechocystis sp. | 分子名称: | Circadian clock protein kaiB, D-MALATE, IMIDAZOLE, ... | 著者 | Hitomi, K, Oyama, T, Han, S, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | 登録日 | 2005-01-06 | 公開日 | 2005-02-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Tetrameric architecture of the circadian clock protein KaiB. A novel interface for intermolecular interactions and its impact on the circadian rhythm. J.Biol.Chem., 280, 2005
|
|
4COQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4coq by Molmil](/molmil-images/mine/4coq) | The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide. | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ... | 著者 | James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A. | 登録日 | 2014-01-30 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability Acta Crystallogr.,Sect.D, 70, 2014
|
|
4D0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d0s by Molmil](/molmil-images/mine/4d0s) | Mtb InhA complex with Pyradizinone compound 14 | 分子名称: | 1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Breed, J, Madhavapeddi, P, Lange, S. | 登録日 | 2014-04-29 | 公開日 | 2015-05-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis To be Published
|
|
4COS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cos by Molmil](/molmil-images/mine/4cos) | Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION | 著者 | Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P. | 登録日 | 2014-01-30 | 公開日 | 2014-03-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin. Cell Rep, 17, 2016
|
|
4CRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4crs by Molmil](/molmil-images/mine/4crs) | Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE N2, ... | 著者 | Mathea, S, Elkins, J.M, Shrestha, L, Szklarz, M, Tallant, C, Newman, J.A, Cooper, C.D, Shrestha, B, Tumber, A, Cocking, R, Salah, E, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Knapp, S. | 登録日 | 2014-02-28 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure of Pkn2 To be Published
|
|
1WUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wue by Molmil](/molmil-images/mine/1wue) | Crystal structure of protein GI:29375081, unknown member of enolase superfamily from enterococcus faecalis V583 | 分子名称: | mandelate racemase/muconate lactonizing enzyme family protein | 著者 | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2004-12-05 | 公開日 | 2004-12-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1WUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wuf by Molmil](/molmil-images/mine/1wuf) | Crystal structure of protein GI:16801725, member of Enolase superfamily from Listeria innocua Clip11262 | 分子名称: | MAGNESIUM ION, hypothetical protein lin2664 | 著者 | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2004-12-07 | 公開日 | 2004-12-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1BJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bjk by Molmil](/molmil-images/mine/1bjk) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH ARG 264 REPLACED BY GLU (R264E) | 分子名称: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | 登録日 | 1998-06-25 | 公開日 | 1998-11-04 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Role of Arg100 and Arg264 from Anabaena PCC 7119 ferredoxin-NADP+ reductase for optimal NADP+ binding and electron transfer. Biochemistry, 37, 1998
|
|
4D0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d0r by Molmil](/molmil-images/mine/4d0r) | Mtb InhA complex with Pyradizinone compound 1 | 分子名称: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | 登録日 | 2014-04-29 | 公開日 | 2015-05-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis To be Published
|
|
1W8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w8c by Molmil](/molmil-images/mine/1w8c) | |
4CK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ck0 by Molmil](/molmil-images/mine/4ck0) | Crystal structure of the integral membrane diacylglycerol kinase - form 2 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIACYLGLYCEROL KINASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Li, D, Lyons, J.A, Vogeley, L, Aragao, D, Caffrey, M. | 登録日 | 2013-12-23 | 公開日 | 2015-01-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.924 Å) | 主引用文献 | Crystal Structure of the Integral Membrane Diacylglycerol Kinase with Zn-Amppcp Bound and its Catalytic Mechanism To be Published
|
|
1Y7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y7m by Molmil](/molmil-images/mine/1y7m) | Crystal Structure of the B. subtilis YkuD protein at 2 A resolution | 分子名称: | CADMIUM ION, SULFATE ION, hypothetical protein BSU14040 | 著者 | Bielnicki, J.A, Devedjiev, Y, Derewenda, U, Dauter, Z, Joachimiak, A, Derewenda, Z.S, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2004-12-09 | 公開日 | 2005-03-01 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | B. subtilis ykuD protein at 2.0 A resolution: insights into the structure and function of a novel, ubiquitous family of bacterial enzymes. Proteins, 62, 2006
|
|
4DHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dhd by Molmil](/molmil-images/mine/4dhd) | Crystal structure of isoprenoid synthase A3MSH1 (TARGET EFI-501992) from Pyrobaculum calidifontis | 分子名称: | ACETATE ION, CHLORIDE ION, PHOSPHATE ION, ... | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-01-27 | 公開日 | 2012-02-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
1BQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bqe by Molmil](/molmil-images/mine/1bqe) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY (T155G) | 分子名称: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | 登録日 | 1998-08-14 | 公開日 | 2002-02-27 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Probing the determinants of coenzyme specificity in ferredoxin-NADP+ reductase by site-directed mutagenesis. J.Biol.Chem., 276, 2001
|
|
1QCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qcy by Molmil](/molmil-images/mine/1qcy) | THE CRYSTAL STRUCTURE OF THE I-DOMAIN OF HUMAN INTEGRIN ALPHA1BETA1 | 分子名称: | I-DOMAIN OF INTEGRIN ALPHA1BETA1, MAGNESIUM ION | 著者 | Kankare, J.A, Salminen, T.A, Nymalm, Y, Kaepylae, J, Heino, J, Johnson, M.S. | 登録日 | 1999-05-12 | 公開日 | 2003-09-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Jararhagin-derived RKKH Peptides Induce Structural Changes in a1I Domain of Human Integrin a1b1 J.Biol.Chem., 279, 2004
|
|
1A2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a2z by Molmil](/molmil-images/mine/1a2z) | |
4C1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c1w by Molmil](/molmil-images/mine/4c1w) | Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 3'-sialyllactose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, NEURAMINIDASE | 著者 | Yang, L, Connaris, H, Potter, J.A, Taylor, G.L. | 登録日 | 2013-08-14 | 公開日 | 2014-08-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Prevention of Influenza by Targeting Host Receptors Using Engineered Proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1Z09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z09 by Molmil](/molmil-images/mine/1z09) | Solution structure of km23 | 分子名称: | Dynein light chain 2A, cytoplasmic | 著者 | Ilangovan, U, Ding, W, Mulder, K, Hinck, A.P, Zuniga, J, Trbovich, J.A, Demeler, B, Groppe, J.C. | 登録日 | 2005-03-01 | 公開日 | 2005-08-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and Dynamics of the Homodimeric Dynein Light Chain km23. J.Mol.Biol., 352 (2), 2005
|
|
5T4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t4u by Molmil](/molmil-images/mine/5t4u) | Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand | 分子名称: | 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin | 著者 | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-08-30 | 公開日 | 2017-02-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J. Med. Chem., 60, 2017
|
|
5UC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uc3 by Molmil](/molmil-images/mine/5uc3) | Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P) complexed with RU-486 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | 著者 | Min, J, Cidlowski, J.A, Pedersen, L.C. | 登録日 | 2016-12-21 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | 主引用文献 | Nuclear receptor To Be Published
|
|
5T4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t4v by Molmil](/molmil-images/mine/5t4v) | Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand | 分子名称: | 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ... | 著者 | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-08-30 | 公開日 | 2017-02-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J. Med. Chem., 60, 2017
|
|
5SVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5svh by Molmil](/molmil-images/mine/5svh) | |