7CBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cbo by Molmil](/molmil-images/mine/7cbo) | Crystal structure of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL, ... | Authors: | Xu, W, Wang, M, Zhang, M. | Deposit date: | 2020-06-13 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and biochemical analyses of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila involved in mucin degradation. Biochem.Biophys.Res.Commun., 529, 2020
|
|
4UBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ubi by Molmil](/molmil-images/mine/4ubi) | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 3.70 MGy at 100K | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | Deposit date: | 2014-08-13 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography Structure, 24, 2016
|
|
4U7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u7u by Molmil](/molmil-images/mine/4u7u) | Crystal structure of RNA-guided immune Cascade complex from E.coli | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | Authors: | Zhao, H, Sheng, G, Wang, J, Wang, M, Bunkoczi, G, Gong, W, Wei, Z, Wang, Y. | Deposit date: | 2014-07-31 | Release date: | 2014-08-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli Nature, 515, 2014
|
|
2YJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yj9 by Molmil](/molmil-images/mine/2yj9) | CATHEPSIN L WITH A NITRILE INHIBITOR | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | Authors: | Banner, D.W, Benz, J.M, Haap, W. | Deposit date: | 2011-05-19 | Release date: | 2011-11-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
|
|
2YJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yjd by Molmil](/molmil-images/mine/2yjd) | Stapled peptide bound to Estrogen Receptor Beta | Descriptor: | 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL, ESTROGEN RECEPTOR BETA, STAPLED PEPTIDE | Authors: | Phillips, C, Roberts, L.R, Schade, M, Bent, A, Davies, N.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Irving, S.L. | Deposit date: | 2011-05-19 | Release date: | 2011-08-03 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
|
|
7CHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7chb by Molmil](/molmil-images/mine/7chb) | Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ... | Authors: | Xiao, J, Zhu, Q. | Deposit date: | 2020-07-05 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy. Cell, 183, 2020
|
|
2YK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yk5 by Molmil](/molmil-images/mine/2yk5) | Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP. | Descriptor: | 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2011-05-25 | Release date: | 2011-08-31 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis J.Biol.Chem., 286, 2011
|
|
4UIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uis by Molmil](/molmil-images/mine/4uis) | The cryoEM structure of human gamma-Secretase complex | Descriptor: | GAMMA-SECRETASE, LYSOZYME | Authors: | Sun, L, Zhao, L, Yang, G, Yan, C, Zhou, R, Zhou, X, Xie, T, Zhao, Y, Wu, S, Li, X, Shi, Y. | Deposit date: | 2015-04-03 | Release date: | 2015-06-10 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Basis of Human Gamma-Secretase Assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6DAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dau by Molmil](/molmil-images/mine/6dau) | Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae | Descriptor: | GLYCEROL, Spermidine N1-acetyltransferase | Authors: | Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-02 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae. To be Published
|
|
4KRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4krv by Molmil](/molmil-images/mine/4krv) | Crystal structure of catalytic domain of bovine beta1,4-galactosyltransferase mutant M344H-GalT1 complex with 6-sulfo-GlcNAc | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE, Beta-1,4-galactosyltransferase 1, ... | Authors: | Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2013-05-17 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Investigations on beta 1,4-galactosyltransferase I using 6-sulfo-GlcNAc as an acceptor sugar substrate. Glycoconj J, 30, 2013
|
|
4KQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kqb by Molmil](/molmil-images/mine/4kqb) | crystal structure of the Golgi casein kinase with Mn/ADP bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Xiao, J. | Deposit date: | 2013-05-14 | Release date: | 2013-06-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.045 Å) | Cite: | Crystal structure of the Golgi casein kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
2YVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yvh by Molmil](/molmil-images/mine/2yvh) | |
6DW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dw0 by Molmil](/molmil-images/mine/6dw0) | Cryo-EM structure of the benzodiazepine-sensitive alpha1beta1gamma2S tri-heteromeric GABAA receptor in complex with GABA (Whole map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, ... | Authors: | Phulera, S, Zhu, H, Yu, J, Yoshioka, C, Gouaux, E. | Deposit date: | 2018-06-26 | Release date: | 2018-08-08 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the benzodiazepine-sensitive alpha 1 beta 1 gamma 2S tri-heteromeric GABAAreceptor in complex with GABA. Elife, 7, 2018
|
|
2Z00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z00 by Molmil](/molmil-images/mine/2z00) | Crystal structure of dihydroorotase from Thermus thermophilus | Descriptor: | Dihydroorotase, ZINC ION | Authors: | Kanagawa, M, Baba, S, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-06 | Release date: | 2007-11-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Crystal structure of dihydroorotase from Thermus thermophilus To be Published
|
|
7C86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c86 by Molmil](/molmil-images/mine/7c86) | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: Dark state structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RETINAL, ... | Authors: | Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O. | Deposit date: | 2020-05-28 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin. Elife, 10, 2021
|
|
4W9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9i by Molmil](/molmil-images/mine/4w9i) | pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10) | Descriptor: | (4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
|
|
4WBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wby by Molmil](/molmil-images/mine/4wby) | tRNA-processing enzyme (apo form I) | Descriptor: | GLYCEROL, Poly A polymerase, SULFATE ION | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-09-04 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
|
|
4W1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w1w by Molmil](/molmil-images/mine/4w1w) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | Descriptor: | 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Ran, D. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
|
|
4W6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w6v by Molmil](/molmil-images/mine/4w6v) | Crystal structure of a peptide transporter from Yersinia enterocolitica at 3 A resolution | Descriptor: | Di-/tripeptide transporter | Authors: | Jeckelmann, J.-M, Boggavarapu, R, Harder, D, Ucurum, Z, Fotiadis, D. | Deposit date: | 2014-08-21 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01819 Å) | Cite: | Role of electrostatic interactions for ligand recognition and specificity of peptide transporters. Bmc Biol., 13, 2015
|
|
4W7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w7t by Molmil](/molmil-images/mine/4w7t) | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | Descriptor: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | Authors: | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | Deposit date: | 2014-08-22 | Release date: | 2014-11-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
|
|
4W9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9g by Molmil](/molmil-images/mine/4w9g) | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
|
|
4W9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9n by Molmil](/molmil-images/mine/4w9n) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
|
|
4WAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wav by Molmil](/molmil-images/mine/4wav) | Crystal Structure of Haloquadratum walsbyi bacteriorhodopsin mutant D93N | Descriptor: | Bacteriorhodopsin-I, RETINAL, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Wang, A.H.J, Hsu, M.F, Yang, C.S, Fu, H.Y. | Deposit date: | 2014-09-02 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of an acid-tolerant light-driven proton pump at 1.85 Angstroms resolution To be published
|
|
4W99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w99 by Molmil](/molmil-images/mine/4w99) | Apo-structure of the Y79F,W322E-double mutant of Etr1p | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ... | Authors: | Quade, N, Voegeli, B, Rosenthal, R, Erb, T.J. | Deposit date: | 2014-08-27 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The use of ene adducts to study and engineer enoyl-thioester reductases. Nat.Chem.Biol., 11, 2015
|
|
4W9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9k by Molmil](/molmil-images/mine/4w9k) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14) | Descriptor: | N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
|
|