8ABX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8abx by Molmil](/molmil-images/mine/8abx) | Crystal structure of IDO1 in complex with Apoxidole-1 | Descriptor: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | Authors: | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | Deposit date: | 2022-07-05 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
6O24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o24 by Molmil](/molmil-images/mine/6o24) | Crystal structure of 4498 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4498 Fab heavy chain, 4498 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
5NAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nal by Molmil](/molmil-images/mine/5nal) | The crystal structure of inhibitor-15 covalently bound to PDE6D | Descriptor: | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide | Authors: | Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A. | Deposit date: | 2017-02-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Covalent Protein Labeling at Glutamic Acids. Cell Chem Biol, 24, 2017
|
|
6O2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o2a by Molmil](/molmil-images/mine/6o2a) | Crystal structure of 4493 Fab in complex with circumsporozoite protein NDN and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
6O29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o29 by Molmil](/molmil-images/mine/6o29) | Crystal structure of 4493 Fab in complex with circumsporozoite protein NPDP and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
6O25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o25 by Molmil](/molmil-images/mine/6o25) | Crystal structure of 3945 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | Descriptor: | 3945 Fab heavy chain, 3945 Kappa light chain, Anti-Kappa VHH domain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
6O28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o28 by Molmil](/molmil-images/mine/6o28) | Crystal structure of 4493 Fab in complex with circumsporozoite protein KQPA and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
6O23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o23 by Molmil](/molmil-images/mine/6o23) | Crystal structure of 2243 Fab in complex with circumsporozoite protein NANP5 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2243 Fab heavy chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-03-04 | Last modified: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
6O2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o2b by Molmil](/molmil-images/mine/6o2b) | Crystal structure of 4493 Fab in complex with circumsporozoite protein DND and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
1NVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nvv by Molmil](/molmil-images/mine/1nvv) | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2003-02-04 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural evidence for feedback activation by RasGTP of the
Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
|
|
4GTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gto by Molmil](/molmil-images/mine/4gto) | FTase in complex with BMS analogue 14 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
|
|
4GTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtr by Molmil](/molmil-images/mine/4gtr) | FTase in complex with BMS analogue 13 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
|
|
4HVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hvy by Molmil](/molmil-images/mine/4hvy) | A thermostable variant of human NUDT18 NUDIX domain obtained by Hot Colony Filtration | Descriptor: | GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate-linked moiety X motif 18, ... | Authors: | Asial, I, Cheng, Y.X, Engman, H, Wu, B, Dollhopf, M, Nordlund, P, Cornvik, T. | Deposit date: | 2012-11-07 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Engineering protein thermostability using a generic activity-independent biophysical screen inside the cell. Nat Commun, 4, 2013
|
|
4GTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtt by Molmil](/molmil-images/mine/4gtt) | Engineered RabGGTase in complex with BMS analogue 12 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
|
|
4FGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fgo by Molmil](/molmil-images/mine/4fgo) | Legionella pneumophila LapG (calcium-bound) | Descriptor: | CALCIUM ION, Periplasmic protein | Authors: | Chatterjee, D, Boyd, C.D, O'Toole, G.A, Sondermann, H. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2013-01-09 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Structural characterization of a conserved, calcium-dependent periplasmic protease from Legionella pneumophila. J.Bacteriol., 194, 2012
|
|
4FGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fgq by Molmil](/molmil-images/mine/4fgq) | Legionella pneumophila LapG | Descriptor: | Periplasmic protein | Authors: | Chatterjee, D, Boyd, C.D, O'Toole, G.A, Sondermann, H. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | Structural characterization of a conserved, calcium-dependent periplasmic protease from Legionella pneumophila. J.Bacteriol., 194, 2012
|
|
2VT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vt8 by Molmil](/molmil-images/mine/2vt8) | Structure of a conserved dimerisation domain within Fbox7 and PI31 | Descriptor: | PROTEASOME INHIBITOR PI31 SUBUNIT | Authors: | Kirk, R.J, Murray-Rust, J, Knowles, P.P, Laman, H, McDonald, N.Q. | Deposit date: | 2008-05-12 | Release date: | 2008-05-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a Conserved Dimerization Domain within the F-Box Protein Fbxo7 and the Pi31 Proteasome Inhibitor. J.Biol.Chem., 283, 2008
|
|
4GTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtm by Molmil](/molmil-images/mine/4gtm) | FTase in complex with BMS analogue 11 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-28 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
|
|
6PWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pwk by Molmil](/molmil-images/mine/6pwk) | Vibrio cholerae LapD S helix-GGDEF-EAL (bound to c-di-GMP) | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GGDEF and EAL domain-containing protein, MAGNESIUM ION | Authors: | Giglio, K.M, Cooley, R.B, Sondermann, H. | Deposit date: | 2019-07-23 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | A Conserved Regulatory Circuit Controls Large Adhesins in Vibrio cholerae. Mbio, 10, 2019
|
|
4IDN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4idn by Molmil](/molmil-images/mine/4idn) | Human atlastin-1 1-446, C-his6, GppNHp | Descriptor: | Atlastin-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | Deposit date: | 2012-12-12 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J., 32, 2013
|
|
4IDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ido by Molmil](/molmil-images/mine/4ido) | human atlastin-1 1-446, C-his6, GDPAlF4- | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | Deposit date: | 2012-12-12 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J., 32, 2013
|
|
6PWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pwj by Molmil](/molmil-images/mine/6pwj) | |
4GTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gtp by Molmil](/molmil-images/mine/4gtp) | FTase in complex with BMS analogue 16 | Descriptor: | 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
|
|
6Q6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q6p by Molmil](/molmil-images/mine/6q6p) | Antarctic fish cytoglobin 1 from D.mawsoni | Descriptor: | Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C. | Deposit date: | 2018-12-11 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions. Comput Struct Biotechnol J, 18, 2020
|
|
2WIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wik by Molmil](/molmil-images/mine/2wik) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-12 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
|
|