6RV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rv8 by Molmil](/molmil-images/mine/6rv8) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor covalent complex with the aldouronic acid UXXR | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | Deposit date: | 2019-05-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
|
|
4D3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d3o by Molmil](/molmil-images/mine/4d3o) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine | Descriptor: | 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-23 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
|
|
6RT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rt7 by Molmil](/molmil-images/mine/6rt7) | |
6RVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rvd by Molmil](/molmil-images/mine/6rvd) | Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-31 | Release date: | 2019-10-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
|
|
4CG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cg5 by Molmil](/molmil-images/mine/4cg5) | Cryo-EM of the Sec61-complex bound to the 80S ribosome translating a secretory substrate | Descriptor: | PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT ALPHA ISOFORM 1, PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT BETA, PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT GAMMA | Authors: | Gogala, M, Becker, T, Beatrix, B, Barrio-Garcia, C, Berninghausen, O, Beckmann, R. | Deposit date: | 2013-11-21 | Release date: | 2014-02-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Structures of the Sec61 Complex Engaged in Nascent Peptide Translocation or Membrane Insertion. Nature, 506, 2014
|
|
6RZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rzh by Molmil](/molmil-images/mine/6rzh) | Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.947 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
|
|
4CU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cu1 by Molmil](/molmil-images/mine/4cu1) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-03-15 | Release date: | 2014-05-07 | Last modified: | 2014-06-04 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014
|
|
6S37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s37 by Molmil](/molmil-images/mine/6s37) | Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
|
|
4CUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cun by Molmil](/molmil-images/mine/4cun) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione | Descriptor: | (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione, ACETATE ION, ARGININE, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2014-03-20 | Release date: | 2014-05-28 | Last modified: | 2014-07-16 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase. Biochemistry, 53, 2014
|
|
6S12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s12 by Molmil](/molmil-images/mine/6s12) | Erythromycin Resistant Staphylococcus aureus 50S ribosome (delta R88 A89 uL22). | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Halfon, Y, Matozv, D, Eyal, Z, Bashan, A, Zimmerman, E, Kjeldgaard, J, Ingmer, H, Yonath, A. | Deposit date: | 2019-06-18 | Release date: | 2019-08-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Exit tunnel modulation as resistance mechanism of S. aureus erythromycin resistant mutant. Sci Rep, 9, 2019
|
|
4CVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cvg by Molmil](/molmil-images/mine/4cvg) | Structure of bovine endothelial nitric oxide synthase heme domain (H4B-free) supplemented with 50uM Zn acetate and with poor binding of 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one. | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2014-03-25 | Release date: | 2014-05-28 | Last modified: | 2014-07-16 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase. Biochemistry, 53, 2014
|
|
6S33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s33 by Molmil](/molmil-images/mine/6s33) | Ligand binding domain of the P. putida receptor PcaY_PP in complex with Protocatechuate | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
|
|
2OIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oiv by Molmil](/molmil-images/mine/2oiv) | Structural Analysis of Xanthomonas XopD Provides Insights Into Substrate Specificity of Ubiquitin-like Protein Proteases | Descriptor: | PHOSPHATE ION, Xanthomonas outer protein D | Authors: | Chosed, R, Tomchick, D.R, Brautigam, C.A, Machius, M, Orth, K. | Deposit date: | 2007-01-11 | Release date: | 2007-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis of Xanthomonas XopD provides insights into substrate specificity of ubiquitin-like protein proteases. J.Biol.Chem., 282, 2007
|
|
4CXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cxp by Molmil](/molmil-images/mine/4cxp) | Structure of bifunctional endonuclease (AtBFN2) from Arabidopsis thaliana in complex with sulfate | Descriptor: | ENDONUCLEASE 2, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | Deposit date: | 2014-04-08 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana. Plos One, 9, 2014
|
|
5V2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v2k by Molmil](/molmil-images/mine/5v2k) | Crystal structure of UDP-glucosyltransferase, UGT74F2 (T15A), with UDP and 2-bromobenzoic acid | Descriptor: | 2-bromobenzoic acid, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ... | Authors: | George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J. | Deposit date: | 2017-03-04 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana. Sci Rep, 7, 2017
|
|
6S4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s4q by Molmil](/molmil-images/mine/6s4q) | scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes | Descriptor: | GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | Authors: | Rebelein, J.G. | Deposit date: | 2019-06-28 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes. J.Am.Chem.Soc., 141, 2019
|
|
2OC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oc2 by Molmil](/molmil-images/mine/2oc2) | Structure of testis ACE with RXPA380 | Descriptor: | Angiotensin-converting enzyme, somatic isoform, CHLORIDE ION, ... | Authors: | Corradi, H.R, Anthony, C.S, Schwager, S.L, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | Deposit date: | 2006-12-20 | Release date: | 2007-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380. Biochemistry, 46, 2007
|
|
4CI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ci2 by Molmil](/molmil-images/mine/4ci2) | Structure of the DDB1-CRBN E3 ubiquitin ligase bound to lenalidomide | Descriptor: | DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Lenalidomide, ... | Authors: | Fischer, E.S, Boehm, K, Thoma, N.H. | Deposit date: | 2013-12-05 | Release date: | 2014-07-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide. Nature, 512, 2014
|
|
6RJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rjm by Molmil](/molmil-images/mine/6rjm) | Complex structure of virulence factor SghA and its hydrolysis product glucose | Descriptor: | Beta-glucosidase, alpha-D-glucopyranose | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-27 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
2NSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nsp by Molmil](/molmil-images/mine/2nsp) | Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide I | Descriptor: | Pectinesterase A, methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-methyl alpha-D-galactopyranuronate | Authors: | Fries, M, Brocklehurst, K, Shevchik, V.E, Pickersgill, R.W. | Deposit date: | 2006-11-06 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of the activity of the phytopathogen pectin methylesterase. Embo J., 26, 2007
|
|
6RL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rl0 by Molmil](/molmil-images/mine/6rl0) | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | Deposit date: | 2019-04-30 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Functional assembly of nitrous oxide reductase provides insights into copper site maturation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
4DBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dbs by Molmil](/molmil-images/mine/4dbs) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid | Descriptor: | 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | Deposit date: | 2012-01-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4DNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dnr by Molmil](/molmil-images/mine/4dnr) | |
6RQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rq1 by Molmil](/molmil-images/mine/6rq1) | CYP121 in complex with 2-methyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
|
|
6RQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rqb by Molmil](/molmil-images/mine/6rqb) | CYP121 in complex with 3-bromo dicyclotyrosine | Descriptor: | 3-bromo dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
|
|