2MJI
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![BU of 2mji by Molmil](/molmil-images/mine/2mji) | HIFABP_Ketorolac_complex | Descriptor: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, Fatty acid-binding protein, intestinal | Authors: | Patil, R, Laguerre, A, Wielens, J, Headey, S, Williams, M, Mohanty, B, Porter, C, Scanlon, M. | Deposit date: | 2014-01-09 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Characterization of two distinct modes of drug binding to human intestinal Fatty Acid binding protein. Acs Chem.Biol., 9, 2014
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2M0P
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![BU of 2m0p by Molmil](/molmil-images/mine/2m0p) | Solution structure of the tenth complement type repeat of human megalin | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor-related protein 2 | Authors: | Dagil, R, Kragelund, B. | Deposit date: | 2012-11-01 | Release date: | 2013-01-09 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Gentamicin binds to the megalin receptor as a competitive inhibitor using the common ligand binding motif of complement type repeats: insight from the nmr structure of the 10th complement type repeat domain alone and in complex with gentamicin. J.Biol.Chem., 288, 2013
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6Z55
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![BU of 6z55 by Molmil](/molmil-images/mine/6z55) | Crystal structure of CLK3 in complex with macrocycle ODS2004070 | Descriptor: | 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2004070 To Be Published
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6Z84
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![BU of 6z84 by Molmil](/molmil-images/mine/6z84) | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-02 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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2M51
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![BU of 2m51 by Molmil](/molmil-images/mine/2m51) | |
2MK2
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![BU of 2mk2 by Molmil](/molmil-images/mine/2mk2) | Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | Authors: | Yang, Y, Ramelot, T.A, Janjua, H, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-01-23 | Release date: | 2014-03-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A. To be Published
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2M0C
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![BU of 2m0c by Molmil](/molmil-images/mine/2m0c) | Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C | Descriptor: | Homeobox protein aristaless-like 4 | Authors: | Xu, X, Eletsky, A, Pulavarti, S, Lee, D, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-10-24 | Release date: | 2012-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C To be Published
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2MH3
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![BU of 2mh3 by Molmil](/molmil-images/mine/2mh3) | NMR structure of the basic helix-loop-helix region of the transcriptional repressor HES-1 | Descriptor: | Transcription factor HES-1 | Authors: | Wienk, H, Popovic, M, Coglievina, M, Boelens, R, Pongor, S, Pintar, A. | Deposit date: | 2013-11-15 | Release date: | 2014-02-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA. Proteins, 82, 2014
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2M0Y
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2MGQ
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![BU of 2mgq by Molmil](/molmil-images/mine/2mgq) | Structure of CEH37 Homeodomain | Descriptor: | Homeobox protein ceh-37 | Authors: | Moon, S, Lee, W. | Deposit date: | 2013-11-04 | Release date: | 2014-11-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of CEH37 Homeodomain To be Published
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2MLI
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![BU of 2mli by Molmil](/molmil-images/mine/2mli) | |
4JJR
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![BU of 4jjr by Molmil](/molmil-images/mine/4jjr) | |
2LWZ
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![BU of 2lwz by Molmil](/molmil-images/mine/2lwz) | NMR Structures of Single-chain Insulin | Descriptor: | SINGLE-CHAIN INSULIN | Authors: | Weiss, M.A, Yang, Y. | Deposit date: | 2012-08-09 | Release date: | 2013-08-28 | Method: | SOLUTION NMR | Cite: | Dynamic repair of an amyloidogenic protein: Insulin fibrillation is blocked by tethering a nascent alpha-helix To be Published
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2HVX
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![BU of 2hvx by Molmil](/molmil-images/mine/2hvx) | Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design | Descriptor: | Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | Authors: | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2006-07-31 | Release date: | 2007-06-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase. J.Med.Chem., 50, 2007
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2HXQ
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![BU of 2hxq by Molmil](/molmil-images/mine/2hxq) | crystal structure of Chek1 in complex with inhibitor 2 | Descriptor: | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y. | Deposit date: | 2006-08-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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6ZJF
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![BU of 6zjf by Molmil](/molmil-images/mine/6zjf) | Crystal structure of STK17B (DRAK2) in complex with AP-229 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | Authors: | Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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2MMO
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![BU of 2mmo by Molmil](/molmil-images/mine/2mmo) | |
2MKC
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![BU of 2mkc by Molmil](/molmil-images/mine/2mkc) | Cooperative Structure of the Heterotrimeric pre-mRNA Retention and Splicing Complex | Descriptor: | Pre-mRNA leakage protein 1, Pre-mRNA-splicing factor CWC26, U2 snRNP component IST3 | Authors: | Wysoczanski, P, Schneider, C, Xiang, S, Munari, F, Trowitzsch, S, Wahl, M.C, Luhrmann, R, Becker, S, Zweckstetter, M. | Deposit date: | 2014-02-04 | Release date: | 2014-09-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cooperative structure of the heterotrimeric pre-mRNA retention and splicing complex. Nat.Struct.Mol.Biol., 21, 2014
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2M34
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![BU of 2m34 by Molmil](/molmil-images/mine/2m34) | |
2I38
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![BU of 2i38 by Molmil](/molmil-images/mine/2i38) | Solution structure of the RRM of SRp20 | Descriptor: | Fusion protein consists of immunoglobulin G-Binding Protein G and Splicing factor, arginine/serine-rich 3 | Authors: | Hargous, Y.F, Allain, F.H.T. | Deposit date: | 2006-08-17 | Release date: | 2006-12-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Molecular basis of RNA recognition and TAP binding by the SR proteins SRp20 and 9G8. Embo J., 25, 2006
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2MIP
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![BU of 2mip by Molmil](/molmil-images/mine/2mip) | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) TYPE 2 PROTEASE IN COMPLEX WITH A REDUCED AMIDE INHIBITOR AND COMPARISON WITH HIV-1 PROTEASE STRUCTURES | Descriptor: | HIV-2 PROTEASE, INHIBITOR BI-LA-398 | Authors: | Tong, L, Pav, S, Pargellis, C, Do, F, Lamarre, D, Anderson, P.C. | Deposit date: | 1993-06-03 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human immunodeficiency virus (HIV) type 2 protease in complex with a reduced amide inhibitor and comparison with HIV-1 protease structures. Proc.Natl.Acad.Sci.USA, 90, 1993
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2I4X
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![BU of 2i4x by Molmil](/molmil-images/mine/2i4x) | HIV-1 Protease I84V, L90M with GS-8374 | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | Authors: | Hatada, M. | Deposit date: | 2006-08-22 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
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4JS8
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![BU of 4js8 by Molmil](/molmil-images/mine/4js8) | Crystal structure of TTK kinase domain with an inhibitor: 401348 | Descriptor: | 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | Authors: | Qiu, W, Plotnikov, A.N, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-22 | Release date: | 2014-03-26 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of TTK kinase domain with an inhibitor: 401348 To be Published
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2IAG
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![BU of 2iag by Molmil](/molmil-images/mine/2iag) | Crystal structure of human prostacyclin synthase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, SODIUM ION | Authors: | Chiang, C.-W, Yeh, H.-C, Wang, L.-H, Chan, N.-L. | Deposit date: | 2006-09-08 | Release date: | 2006-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Human Prostacyclin Synthase J.Mol.Biol., 364, 2006
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2HY0
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![BU of 2hy0 by Molmil](/molmil-images/mine/2hy0) | crystal structure of chek1 in complex with inhibitor 22 | Descriptor: | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y. | Deposit date: | 2006-08-04 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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