5EQH
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![BU of 5eqh by Molmil](/molmil-images/mine/5eqh) | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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6VBS
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6VDR
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![BU of 6vdr by Molmil](/molmil-images/mine/6vdr) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromophenol | Descriptor: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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5ERD
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![BU of 5erd by Molmil](/molmil-images/mine/5erd) | Crystal structure of human Desmoglein-2 ectodomain | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brasch, J, Harrison, O.J, Shapiro, L. | Deposit date: | 2015-11-13 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of adhesive binding by desmocollins and desmogleins. Proc.Natl.Acad.Sci.USA, 113, 2016
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6HIT
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![BU of 6hit by Molmil](/molmil-images/mine/6hit) | The crystal structure of haemoglobin from Atlantic cod | Descriptor: | Hemoglobin alpha 2 chain, Hemoglobin beta 4 chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Helland, R, Bjorkeng, E.K, Rothweiler, U, Sydnes, M.O, Pampanin, D.M. | Deposit date: | 2018-08-30 | Release date: | 2019-08-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of haemoglobin from Atlantic cod. Acta Crystallogr.,Sect.F, 75, 2019
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5ER7
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![BU of 5er7 by Molmil](/molmil-images/mine/5er7) | Connexin-26 Bound to Calcium | Descriptor: | CALCIUM ION, Gap junction beta-2 protein | Authors: | Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J. | Deposit date: | 2015-11-13 | Release date: | 2016-01-27 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.286 Å) | Cite: | An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels. Nat Commun, 7, 2016
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6HMD
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![BU of 6hmd by Molmil](/molmil-images/mine/6hmd) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18 | Descriptor: | 1,2-ETHANEDIOL, 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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3EQD
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6UPG
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![BU of 6upg by Molmil](/molmil-images/mine/6upg) | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nguyen, R.C.D, Yang, Y, Liu, A. | Deposit date: | 2019-10-17 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.393 Å) | Cite: | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121 Acs Catalysis, 10, 2020
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6HGK
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5ESF
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![BU of 5esf by Molmil](/molmil-images/mine/5esf) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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8BD0
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![BU of 8bd0 by Molmil](/molmil-images/mine/8bd0) | |
6HIP
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![BU of 6hip by Molmil](/molmil-images/mine/6hip) | Structure of SPF45 UHM bound to HIV-1 Rev ULM | Descriptor: | HIV-1 Rev (41-49), SODIUM ION, Splicing factor 45, ... | Authors: | Pabis, M, Corsini, L, Sattler, M. | Deposit date: | 2018-08-30 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Modulation of HIV-1 gene expression by binding of a ULM motif in the Rev protein to UHM-containing splicing factors. Nucleic Acids Res., 47, 2019
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3E2M
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![BU of 3e2m by Molmil](/molmil-images/mine/3e2m) | LFA-1 I domain bound to inhibitors | Descriptor: | Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid | Authors: | Silvian, L.F. | Deposit date: | 2008-08-05 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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6HQK
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![BU of 6hqk by Molmil](/molmil-images/mine/6hqk) | Crystal structure of GcoA F169A bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQR
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![BU of 6hqr by Molmil](/molmil-images/mine/6hqr) | Crystal structure of GcoA F169H bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6UUI
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6HTU
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![BU of 6htu by Molmil](/molmil-images/mine/6htu) | Structure of hStau1 dsRBD3-4 in complex with ARF1 RNA | Descriptor: | Double-stranded RNA-binding protein Staufen homolog 1, RNA (19-MER) | Authors: | Emmerich, C, Lazzaretti, D, Bandholz-Cajamarca, L, Bono, F. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.888 Å) | Cite: | The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity. Life Sci Alliance, 1, 2018
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6HWV
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![BU of 6hwv by Molmil](/molmil-images/mine/6hwv) | Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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6UVS
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3E8N
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![BU of 3e8n by Molmil](/molmil-images/mine/3e8n) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Yan, S, Wang, Z.M. | Deposit date: | 2008-08-20 | Release date: | 2009-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer. Cancer Res., 69, 2009
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3E5I
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![BU of 3e5i by Molmil](/molmil-images/mine/3e5i) | Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser off | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-08-14 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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6UWP
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![BU of 6uwp by Molmil](/molmil-images/mine/6uwp) | BACE-1 in complex with compound #32 | Descriptor: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Hendle, J, Timm, D.E. | Deposit date: | 2019-11-05 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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5EQX
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![BU of 5eqx by Molmil](/molmil-images/mine/5eqx) | Crystal structure of human Desmoglein-3 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | Deposit date: | 2015-11-13 | Release date: | 2016-06-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis of adhesive binding by desmocollins and desmogleins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EN9
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![BU of 5en9 by Molmil](/molmil-images/mine/5en9) | High resolution x-ray crystal structure of isotope-labeled ester-insulin | Descriptor: | Insulin chain A, Insulin chain B | Authors: | Mandal, K, Dhayalan, B, Avital-Shmilovici, M, Tokmakoff, A, Kent, S.B.H. | Deposit date: | 2015-11-09 | Release date: | 2016-01-13 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallization of Enantiomerically Pure Proteins from Quasi-Racemic Mixtures: Structure Determination by X-Ray Diffraction of Isotope-Labeled Ester Insulin and Human Insulin. Chembiochem, 17, 2016
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