4RRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rrv by Molmil](/molmil-images/mine/4rrv) | |
6OPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6opv by Molmil](/molmil-images/mine/6opv) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
|
|
6OPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6opz by Molmil](/molmil-images/mine/6opz) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
|
|
4RM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rm4 by Molmil](/molmil-images/mine/4rm4) | The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G. | Deposit date: | 2014-10-18 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis. Mol Biosyst, 11, 2015
|
|
4RUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rui by Molmil](/molmil-images/mine/4rui) | |
4RVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rvl by Molmil](/molmil-images/mine/4rvl) | CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile | Descriptor: | 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
|
|
4RVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rvx by Molmil](/molmil-images/mine/4rvx) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079 | Descriptor: | (4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide, HIV-1 Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-28 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.955 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1. To be Published
|
|
6OMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6omo by Molmil](/molmil-images/mine/6omo) | Human BMP6 homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 6, ... | Authors: | Juo, Z.S, Seeherman, H. | Deposit date: | 2019-04-19 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix. Sci Transl Med, 11, 2019
|
|
4ROL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rol by Molmil](/molmil-images/mine/4rol) | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | Descriptor: | 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. | Deposit date: | 2014-10-28 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents. Org.Biomol.Chem., 13, 2015
|
|
4RZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rzk by Molmil](/molmil-images/mine/4rzk) | Crystal structure of Sulfolobus solfataricus Hsp20.1 ACD | Descriptor: | Small heat shock protein hsp20 family | Authors: | Liang, L, Yun, C.H. | Deposit date: | 2014-12-22 | Release date: | 2015-12-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.677 Å) | Cite: | Crystal structure and function of an unusual dimeric Hsp20.1 provide insight into the thermal protection mechanism of small heat shock proteins. Biochem.Biophys.Res.Commun., 2015
|
|
4S1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s1g by Molmil](/molmil-images/mine/4s1g) | |
4S18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s18 by Molmil](/molmil-images/mine/4s18) | |
6OGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ogs by Molmil](/molmil-images/mine/6ogs) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-001 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
|
|
4TKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tkh by Molmil](/molmil-images/mine/4tkh) | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4TKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tkj by Molmil](/molmil-images/mine/4tkj) | The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4TLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tlj by Molmil](/molmil-images/mine/4tlj) | Ultra-high resolution crystal structure of caprine Beta-lactoglobulin | Descriptor: | 1,4-BUTANEDIOL, Beta-lactoglobulin | Authors: | Crowther, J.M, Jameson, G.B, Suzuki, H, Dobson, R.C.J. | Deposit date: | 2014-05-30 | Release date: | 2014-06-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Ultra-high resolution crystal structure of recombinant caprine beta-lactoglobulin. Febs Lett., 588, 2014
|
|
4TSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tsa by Molmil](/molmil-images/mine/4tsa) | Structure of a lysozyme FAb complex | Descriptor: | FAb Heavy Chain, FAb Light Chain, Lysozyme C | Authors: | Wensley, B. | Deposit date: | 2014-06-18 | Release date: | 2015-07-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure of a lysozyme FAb complex To Be Published
|
|
4TMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tmt by Molmil](/molmil-images/mine/4tmt) | Translation initiation factor eIF5B (517-858) mutant D533A from C. thermophilum, bound to GTPgammaS | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Kuhle, B, Ficner, R. | Deposit date: | 2014-06-02 | Release date: | 2014-09-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A monovalent cation acts as structural and catalytic cofactor in translational GTPases. Embo J., 33, 2014
|
|
6OSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6osv by Molmil](/molmil-images/mine/6osv) | Potent and Selective Antitumor Antibody Targeting a Membrane-Proximal Epitope of ROR2 | Descriptor: | Antibody heavy chain variable region, Antibody light chain variable region, Tyrosine-protein kinase transmembrane receptor ROR2 | Authors: | Park, H, Rader, C. | Deposit date: | 2019-05-02 | Release date: | 2020-04-01 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Affinity maturation, humanization, and co-crystallization of a rabbit anti-human ROR2 monoclonal antibody for therapeutic applications. J.Biol.Chem., 295, 2020
|
|
4RO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ro9 by Molmil](/molmil-images/mine/4ro9) | 2.0A resolution structure of SRPN2 (S358E) from Anopheles gambiae | Descriptor: | GLYCEROL, Serpin 2 | Authors: | Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. | Deposit date: | 2014-10-28 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae. J.Biol.Chem., 290, 2015
|
|
6OY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oy1 by Molmil](/molmil-images/mine/6oy1) | HIV-1 Protease NL4-3 WT in Complex with LR2-26 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
4ROB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rob by Molmil](/molmil-images/mine/4rob) | 2.8A resolution structure of SRPN2 (K198C) from Anopheles gambiae | Descriptor: | Serpin 2 | Authors: | Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. | Deposit date: | 2014-10-28 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.8A resolution structure of SRPN2 (K198C) from Anopheles gambiae To be Published
|
|
4RSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rsg by Molmil](/molmil-images/mine/4rsg) | Neutron crystal structure of Ras bound to the GTP analogue GppNHp | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C. | Deposit date: | 2014-11-07 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (1.907 Å) | Cite: | Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate. J.Biol.Chem., 290, 2015
|
|
6O5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o5a by Molmil](/molmil-images/mine/6o5a) | |
4RTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rtz by Molmil](/molmil-images/mine/4rtz) | |