6H9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h9s by Molmil](/molmil-images/mine/6h9s) | |
4MC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc6 by Molmil](/molmil-images/mine/4mc6) | HIV protease in complex with SA499 | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
|
|
6HMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hmg by Molmil](/molmil-images/mine/6hmg) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | Deposit date: | 2018-09-12 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase. Org.Lett., 20, 2018
|
|
1L0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l0n by Molmil](/molmil-images/mine/1l0n) | native structure of bovine mitochondrial cytochrome bc1 complex | Descriptor: | Cytochrome B, Cytochrome c1, heme protein, ... | Authors: | Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D. | Deposit date: | 2002-02-11 | Release date: | 2003-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition Biochemistry, 41, 2003
|
|
8FNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fne by Molmil](/molmil-images/mine/8fne) | phiPA3 PhuN Tetramer, p2 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, PhuN | Authors: | Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A. | Deposit date: | 2022-12-27 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice. Nat Commun, 14, 2023
|
|
1L8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l8x by Molmil](/molmil-images/mine/1l8x) | Crystal Structure of Ferrochelatase from the Yeast, Saccharomyces cerevisiae, with Cobalt(II) as the Substrate Ion | Descriptor: | COBALT (II) ION, Ferrochelatase | Authors: | Karlberg, T, Lecerof, D, Gora, M, Silvegren, G, Labbe-Bois, R, Hansson, M, Al-Karadaghi, S. | Deposit date: | 2002-03-22 | Release date: | 2002-11-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Metal Binding to Saccharomyces cerevisiae Ferrochelatase Biochemistry, 41, 2002
|
|
8FV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fv5 by Molmil](/molmil-images/mine/8fv5) | Representation of 16-mer phiPA3 PhuN Lattice, p2 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, phiPA3 PhuN | Authors: | Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A. | Deposit date: | 2023-01-18 | Release date: | 2023-03-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.21 Å) | Cite: | The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice. Nat Commun, 14, 2023
|
|
6HHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hhi by Molmil](/molmil-images/mine/6hhi) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
|
|
6HR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hr9 by Molmil](/molmil-images/mine/6hr9) | |
8FFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffe by Molmil](/molmil-images/mine/8ffe) | Crystal structure of LRP6 E1E2 domains bound to YW210.09 Fab and engineered XWnt8 peptide | Descriptor: | GLYCEROL, Low-density lipoprotein receptor-related protein 6, SODIUM ION, ... | Authors: | Jude, K.M, Tsutsumi, N, Waghray, D, Garcia, K.C. | Deposit date: | 2022-12-08 | Release date: | 2023-03-08 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6HN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hn8 by Molmil](/molmil-images/mine/6hn8) | Structure of BM3 heme domain in complex with troglitazone | Descriptor: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jeffreys, L, Munro, A.W.M, Leys, D. | Deposit date: | 2018-09-14 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Oxidation of antidiabetic compounds by cytochrome P450 BM3 To be published
|
|
8FWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fwi by Molmil](/molmil-images/mine/8fwi) | Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ... | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2023-01-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
|
|
8FWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fwj by Molmil](/molmil-images/mine/8fwj) | Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2023-01-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
|
|
6HZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hzi by Molmil](/molmil-images/mine/6hzi) | |
6I02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i02 by Molmil](/molmil-images/mine/6i02) | Structure of human D-glucuronyl C5 epimerase in complex with product | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y. | Deposit date: | 2018-10-24 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ht1 by Molmil](/molmil-images/mine/6ht1) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-10-02 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
1L6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l6r by Molmil](/molmil-images/mine/1l6r) | Crystal Structure of Thermoplasma acidophilum 0175 (APC0014) | Descriptor: | CALCIUM ION, FORMIC ACID, HYPOTHETICAL PROTEIN TA0175 | Authors: | Kim, Y, Joachimiak, A, Edwards, A.M, Xu, X, Pennycooke, M, Gu, J, Cheung, F, Christendat, D, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-03-13 | Release date: | 2003-01-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure- and function-based characterization of a new phosphoglycolate phosphatase from Thermoplasma acidophilum. J.Biol.Chem., 279, 2004
|
|
6H8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h8q by Molmil](/molmil-images/mine/6h8q) | Structural basis for Scc3-dependent cohesin recruitment to chromatin | Descriptor: | Cohesin subunit SCC3, DNA (5'-D(P*CP*TP*TP*TP*CP*GP*TP*TP*TP*CP*CP*TP*TP*GP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*CP*AP*AP*GP*GP*AP*AP*AP*CP*GP*AP*AP*AP*G)-3'), ... | Authors: | Li, Y, Muir, K, Panne, D. | Deposit date: | 2018-08-03 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.631 Å) | Cite: | Structural basis for Scc3-dependent cohesin recruitment to chromatin. Elife, 7, 2018
|
|
6H9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h9o by Molmil](/molmil-images/mine/6h9o) | |
6H9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h9u by Molmil](/molmil-images/mine/6h9u) | Crystal structure of the BiP NBD and MANF SAP complex | Descriptor: | D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2018-08-06 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
|
|
6HWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hwu by Molmil](/molmil-images/mine/6hwu) | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-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 (2.3 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
|
|
1LB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lb6 by Molmil](/molmil-images/mine/1lb6) | TRAF6-CD40 Complex | Descriptor: | CD40 antigen, TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
|
|
6HYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hyo by Molmil](/molmil-images/mine/6hyo) | Structure of ULK1 LIR motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D. | Deposit date: | 2018-10-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins. Nat Commun, 10, 2019
|
|
6HEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hej by Molmil](/molmil-images/mine/6hej) | Structure of human USP28 | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Gersch, M, Komander, D. | Deposit date: | 2018-08-20 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity. Mol.Cell, 74, 2019
|
|
6HZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hzr by Molmil](/molmil-images/mine/6hzr) | Apo structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI | Authors: | Bellini, D, Dowson, C.G. | Deposit date: | 2018-10-23 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance. J.Mol.Biol., 431, 2019
|
|