6GIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6giq by Molmil](/molmil-images/mine/6giq) | Saccharomyces cerevisiae respiratory supercomplex III2IV | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate, (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate, ... | Authors: | Rathore, S, Berndtsson, J, Conrad, J, Ott, M. | Deposit date: | 2018-05-15 | Release date: | 2019-01-02 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Cryo-EM structure of the yeast respiratory supercomplex. Nat. Struct. Mol. Biol., 26, 2019
|
|
4RU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ru1 by Molmil](/molmil-images/mine/4ru1) | Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus 11B, TARGET EFI-510965, in complex with myo-inositol | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CITRIC ACID, Monosaccharide ABC transporter substrate-binding protein, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siede, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-11-17 | Release date: | 2014-12-17 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus, TARGET EFI-510965. To be Published
|
|
6GL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gl8 by Molmil](/molmil-images/mine/6gl8) | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | Deposit date: | 2018-05-23 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget, 9, 2018
|
|
6GM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gm4 by Molmil](/molmil-images/mine/6gm4) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S319A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
|
|
6GM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gm1 by Molmil](/molmil-images/mine/6gm1) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
|
|
4BVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bvw by Molmil](/molmil-images/mine/4bvw) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
|
|
4RYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rya by Molmil](/molmil-images/mine/4rya) | Crystal structure of abc transporter solute binding protein AVI_3567 from AGROBACTERIUM VITIS S4, TARGET EFI-510645, with bound D-mannitol | Descriptor: | ABC transporter substrate binding protein (Sorbitol), ACETATE ION, D-MANNITOL | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-13 | Release date: | 2014-12-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Periplasmic Solute-Binding Protein Avi_3567 from Agrobacterium Vitis, Target Efi-510645 To be Published
|
|
4RXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rxl by Molmil](/molmil-images/mine/4rxl) | Crystal structure of Molybdenum ABC transporter solute binding protein Vc_A0726 from Vibrio Cholerae, Target EFI-510913, in complex with tungstate | Descriptor: | Molybdenum ABC transporter, periplasmic molybdenum-binding protein, TUNGSTATE(VI)ION | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of Molybdate Transporter Vc_A0726 from Vibrio Cholerae, Target EFI-510913 To be Published
|
|
5C7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7e by Molmil](/molmil-images/mine/5c7e) | Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA10 peptide | Descriptor: | ASPR2 protein, Auxin-responsive protein IAA10, ZINC ION | Authors: | Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | Deposit date: | 2015-06-24 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors. Sci Adv, 1, 2015
|
|
4RY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ry9 by Molmil](/molmil-images/mine/4ry9) | Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae EF01-2, TARGET EFI-511009, a complex with D-TALITOL | Descriptor: | BICARBONATE ION, D-altritol, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae To be Published
|
|
5CA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ca0 by Molmil](/molmil-images/mine/5ca0) | Crystal structure of T2R-TTL-Lexibulin complex | Descriptor: | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-29 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
|
|
3JPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jpv by Molmil](/molmil-images/mine/3jpv) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand | Descriptor: | 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-04 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors. J.Med.Chem., 52, 2009
|
|
4S3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s3c by Molmil](/molmil-images/mine/4s3c) | IspG in complex with Epoxide Intermediate | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
|
|
5CEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cep by Molmil](/molmil-images/mine/5cep) | |
3FS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fs6 by Molmil](/molmil-images/mine/3fs6) | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | Deposit date: | 2009-01-09 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes. Biochemistry, 48, 2009
|
|
1RJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rjb by Molmil](/molmil-images/mine/1rjb) | Crystal Structure of FLT3 | Descriptor: | FL cytokine receptor | Authors: | Griffith, J, Black, J, Faerman, C, Swenson, L, Wynn, M, Lu, F, Lippke, J, Saxena, K. | Deposit date: | 2003-11-19 | Release date: | 2004-02-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structural basis for autoinhibition of FLT3 by the juxtamembrane domain. Mol.Cell, 13, 2004
|
|
2VN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vn8 by Molmil](/molmil-images/mine/2vn8) | Crystal structure of human Reticulon 4 interacting protein 1 in complex with NADPH | Descriptor: | CITRIC ACID, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pike, A.C.W, Guo, K, Elkins, J, Ugochukwu, E, Roos, A.K, Filippakopoulos, P, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2008-01-31 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Reticulon 4 Interacting Protein 1 in Complex with Nadph To be Published
|
|
7JY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jy1 by Molmil](/molmil-images/mine/7jy1) | Structure of HbA with compound 19 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
|
|
5H5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h5b by Molmil](/molmil-images/mine/5h5b) | |
4TRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4trg by Molmil](/molmil-images/mine/4trg) | the SNL domain of SidC | Descriptor: | MERCURY (II) ION, SidC | Authors: | Hsu, F.S, Luo, X, Qiu, J, Teng, Y, Jin, J, Smolka, M.B, Luo, Z.Q, Mao, Y. | Deposit date: | 2014-06-16 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5GNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gnf by Molmil](/molmil-images/mine/5gnf) | Crystal structure of anti-CRISPR protein AcrF3 | Descriptor: | CALCIUM ION, Uncharacterized protein AcrF3 | Authors: | Wang, J, Wang, Y. | Deposit date: | 2016-07-20 | Release date: | 2016-09-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses Cell Res., 26, 2016
|
|
5MGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mgc by Molmil](/molmil-images/mine/5mgc) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 4-Galactosyl-lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Probable beta-galactosidase A, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
|
|
7D3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d3i by Molmil](/molmil-images/mine/7d3i) | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-19 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
|
|
5MNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mnt by Molmil](/molmil-images/mine/5mnt) | Bacteriophage Qbeta maturation protein | Descriptor: | A2 maturation protein | Authors: | Rumnieks, J, Tars, K. | Deposit date: | 2016-12-13 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Crystal Structure of the Maturation Protein from Bacteriophage Q beta. J. Mol. Biol., 429, 2017
|
|
4P0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p0u by Molmil](/molmil-images/mine/4p0u) | |