1PDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pdv by Molmil](/molmil-images/mine/1pdv) | |
4ZC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zc0 by Molmil](/molmil-images/mine/4zc0) | Structure of a dodecameric bacterial helicase | Descriptor: | HEXATANTALUM DODECABROMIDE, Replicative DNA helicase | Authors: | Bazin, A, Cherrier, M.V, Gutsche, I, Timmins, J, Terradot, L. | Deposit date: | 2015-04-15 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (6.7 Å) | Cite: | Structure and primase-mediated activation of a bacterial dodecameric replicative helicase. Nucleic Acids Res., 43, 2015
|
|
7QNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qns by Molmil](/molmil-images/mine/7qns) | Peptide VYEKKP in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-22 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Peptide VYEKKP in complex with human cathepsin V C25S mutant To Be Published
|
|
6ITC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6itc by Molmil](/molmil-images/mine/6itc) | Structure of a substrate engaged SecA-SecY protein translocation machine | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Ma, C.Y, Wu, X.F, Sun, D.J, Park, E.Y, Rapoport, T.A, Gao, N, Long, L. | Deposit date: | 2018-11-21 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure of the substrate-engaged SecA-SecY protein translocation machine. Nat Commun, 10, 2019
|
|
7QPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qph by Molmil](/molmil-images/mine/7qph) | Crystal structure of mouse CARM1 in complex with histone H3_22-31 K27 acetylated | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone H3 22-31 K27 acetylated, ... | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2022-01-04 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CARM1 Transition State Mimics To Be Published
|
|
1PDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pdw by Molmil](/molmil-images/mine/1pdw) | |
1PJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pj0 by Molmil](/molmil-images/mine/1pj0) | RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | Deposit date: | 2003-05-30 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2. J.Am.Chem.Soc., 125, 2003
|
|
7QO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo2 by Molmil](/molmil-images/mine/7qo2) | Peptide GAKSAA in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-23 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Peptide GAKSAA in complex with human cathepsin V C25A mutant To Be Published
|
|
5LDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ldv by Molmil](/molmil-images/mine/5ldv) | Crystal Structures of MOMP from Campylobacter jejuni | Descriptor: | CALCIUM ION, MOMP porin, N-OCTANE, ... | Authors: | Wallat, G.D, Ferrara, L.M.G, Moynie, L, Naismith, J.H. | Deposit date: | 2016-06-28 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | MOMP from Campylobacter jejuni Is a Trimer of 18-Stranded beta-Barrel Monomers with a Ca(2+) Ion Bound at the Constriction Zone. J.Mol.Biol., 428, 2016
|
|
1W5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w5y by Molmil](/molmil-images/mine/1w5y) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
4ZA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4za1 by Molmil](/molmil-images/mine/4za1) | Crystal Structure of NosA Involved in Nosiheptide Biosynthesis | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA | Authors: | Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C. | Deposit date: | 2015-04-13 | Release date: | 2015-08-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis Sci Rep, 5, 2015
|
|
5WXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wxq by Molmil](/molmil-images/mine/5wxq) | |
1PIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1piz by Molmil](/molmil-images/mine/1piz) | RIBONUCLEOTIDE REDUCTASE R2 D84E MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | Deposit date: | 2003-05-30 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2. J.Am.Chem.Soc., 125, 2003
|
|
1PJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pjg by Molmil](/molmil-images/mine/1pjg) | RNA/DNA Hybrid Decamer of CAAAGAAAAG/CTTTTCTTTG | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', CALCIUM ION | Authors: | Kopka, M.L, Lavelle, L, Han, G.W, Ng, H.-L, Dickerson, R.E. | Deposit date: | 2003-06-02 | Release date: | 2003-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | An unusual sugar conformation in the structure of an RNA/DNA decamer of the polypurine tract may affect recognition by RNase H. J.Mol.Biol., 334, 2003
|
|
7QUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qui by Molmil](/molmil-images/mine/7qui) | Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
|
|
5X0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x0r by Molmil](/molmil-images/mine/5x0r) | Crystal Structure of PXR LBD Complexed with SJB7 | Descriptor: | 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | Authors: | Lv, L, Lin, W, Chai, S.C, Zhang, Q, Chen, T. | Deposit date: | 2017-01-23 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | SPA70 is a potent antagonist of human pregnane X receptor. Nat Commun, 8, 2017
|
|
6FWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fwj by Molmil](/molmil-images/mine/6fwj) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2018-03-06 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
|
|
7QU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qu6 by Molmil](/molmil-images/mine/7qu6) | Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
|
|
1PJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pji by Molmil](/molmil-images/mine/1pji) | Crystal structure of wild type Lactococcus lactis FPG complexed to a 1,3 propanediol containing DNA | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*TP*TP*(PDI)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), Formamidopyrimidine-DNA glycosylase, ... | Authors: | Pereira, K, Serre, L, Zelwer, C, Castaing, B. | Deposit date: | 2003-06-03 | Release date: | 2004-08-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into abasic site for Fpg specific binding and catalysis: comparative high-resolution crystallographic studies of Fpg bound to various models of abasic site analogues-containing DNA. Nucleic Acids Res., 33, 2005
|
|
5CN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cn8 by Molmil](/molmil-images/mine/5cn8) | Ultrafast dynamics in myoglobin: 0.3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
|
|
7QU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qu4 by Molmil](/molmil-images/mine/7qu4) | Recombinant Human Fetal Hemoglobin mutant - alpha subunit mutations K11E,K56E,N78D,K90E | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit gamma-2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kettisen, K, Nyblom, M, Bulow, L. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural and oxidative investigation of a recombinant high-yielding fetal hemoglobin mutant. Front Mol Biosci, 10, 2023
|
|
5CNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cnf by Molmil](/molmil-images/mine/5cnf) | Ultrafast dynamics in myoglobin: 50 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
|
|
1PJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pj4 by Molmil](/molmil-images/mine/1pj4) | Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate malate, ATP, Mn++, and allosteric activator fumarate. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-MALATE, FUMARIC ACID, ... | Authors: | Tao, X, Yang, Z, Tong, L. | Deposit date: | 2003-05-31 | Release date: | 2003-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of substrate complexes of malic enzyme and insights into the catalytic mechanism. Structure, 11, 2003
|
|
5M3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m3w by Molmil](/molmil-images/mine/5m3w) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
|
|
1W3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w3p by Molmil](/molmil-images/mine/1w3p) | NimA from D. radiodurans with a His71-Pyruvate residue | Descriptor: | ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID | Authors: | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, McSweeney, S.M. | Deposit date: | 2004-07-17 | Release date: | 2004-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
|
|