7B8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b8b by Molmil](/molmil-images/mine/7b8b) | ADPG2 - ENDOPOLYGALACTURONASE FROM ARABIDOPSIS THALIANA | Descriptor: | PHOSPHATE ION, Polygalacturonase ADPG2 | Authors: | Safran, J, Tabi, W, Habrylo, O, Bouckaert, J, Lefebvre, V, Senechal, F, Pelloux, J. | Deposit date: | 2020-12-12 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Plant polygalacturonase structures specify enzyme dynamics and processivities to fine-tune cell wall pectins. Plant Cell, 2023
|
|
4WW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ww5 by Molmil](/molmil-images/mine/4ww5) | Crystal structure of binary complex Bud32-Cgi121 in complex with AMPP | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, ... | Authors: | Zhang, W. | Deposit date: | 2014-11-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
|
|
4WK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wk6 by Molmil](/molmil-images/mine/4wk6) | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) (G141A) from Vibrio cholerae in complex with NADPH | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL | Authors: | Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-01 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae. J.Bacteriol., 198, 2015
|
|
7B7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b7o by Molmil](/molmil-images/mine/7b7o) | Solution structure of A. thaliana core TatA in DHPC micelles | Descriptor: | Sec-independent protein translocase protein TATA, chloroplastic | Authors: | Pettersson, P, Ye, W, Jakob, M, Tannert, F, Klosgen, R.B, Maler, L. | Deposit date: | 2020-12-11 | Release date: | 2021-01-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of plant TatA in micelles and lipid bilayers studied by solution NMR. FEBS J, 285, 2018
|
|
4WKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wks by Molmil](/molmil-images/mine/4wks) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, ethylboronic acid | Authors: | Wu, R, Clevenger, D.K, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
|
|
7ZC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zc1 by Molmil](/molmil-images/mine/7zc1) | Subtomogram averaging of Rubisco from Cyanobium carboxysome | Descriptor: | Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase, small subunit | Authors: | Ni, T, Zhu, Y, Seaton-Burn, W, Zhang, P. | Deposit date: | 2022-03-25 | Release date: | 2022-07-06 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and assembly of cargo Rubisco in two native alpha-carboxysomes. Nat Commun, 13, 2022
|
|
4PIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pin by Molmil](/molmil-images/mine/4pin) | Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine | Descriptor: | Histidine-specific methyltransferase EgtD, N,N-dimethyl-L-histidine, PHOSPHATE ION | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | Deposit date: | 2014-05-09 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. Chembiochem, 16, 2015
|
|
3GCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gcb by Molmil](/molmil-images/mine/3gcb) | GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A/DELTAK454 | Descriptor: | GAL6, GLYCEROL, SULFATE ION | Authors: | Joshua-Tor, L, Zheng, W, Johnston, S.A. | Deposit date: | 1998-02-27 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase. Cell(Cambridge,Mass.), 93, 1998
|
|
7AAY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aay by Molmil](/molmil-images/mine/7aay) | Crystal structure of MerTK kinase domain in complex with Merestinib | Descriptor: | CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
|
|
7AB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ab2 by Molmil](/molmil-images/mine/7ab2) | Crystal structure of MerTK kinase domain in complex with UNC2025 | Descriptor: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
|
|
6ZQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zqi by Molmil](/molmil-images/mine/6zqi) | Cryo-EM structure of Spondweni virus prME | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-09 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
|
|
4WH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wh4 by Molmil](/molmil-images/mine/4wh4) | Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H | Descriptor: | GLYCEROL, Immunoglobulin G-binding protein G, SULFATE ION | Authors: | Cunningham, T.C, Horne, W.S, Saxena, S. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The double-histidine Cu2+-binding motif: a highly rigid, site-specific spin probe for electron spin resonance distance measurements. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
7AB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ab1 by Molmil](/molmil-images/mine/7ab1) | Crystal structure of MerTK kinase domain in complex with Gilteritinib | Descriptor: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
|
|
4WK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wk0 by Molmil](/molmil-images/mine/4wk0) | Metal Ion and Ligand Binding of Integrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP, ... | Authors: | Xia, W, Springer, T.A. | Deposit date: | 2014-10-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4WEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4weq by Molmil](/molmil-images/mine/4weq) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-10 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
|
|
4WGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wgh by Molmil](/molmil-images/mine/4wgh) | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution | Descriptor: | ACETATE ION, Aldehyde reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bacal, P, Shabalin, I.G, Cooper, D.R, Hillerich, B.S, Zimmerman, M.D, Chowdhury, S, Hammonds, J, Al Obaidi, N, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-18 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution to be published
|
|
4WJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wj7 by Molmil](/molmil-images/mine/4wj7) | CCM2 PTB domain in complex with KRIT1 NPxY/F3 | Descriptor: | KRIT1 NPxY/F3, Malcavernin | Authors: | Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.753 Å) | Cite: | Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations. J.Biol.Chem., 290, 2015
|
|
4WJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wjk by Molmil](/molmil-images/mine/4wjk) | Metal Ion and Ligand Binding of Integrin | 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: | Xia, W, Springer, T.A. | Deposit date: | 2014-09-30 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
7A17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a17 by Molmil](/molmil-images/mine/7a17) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-12 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
|
|
4WKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wkv by Molmil](/molmil-images/mine/4wkv) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, trihydroxy(octyl)borate(1-) | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1434 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
|
|
6ZZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zzr by Molmil](/molmil-images/mine/6zzr) | The Crystal Structure of human LDHA from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-lactate dehydrogenase A chain | Authors: | Wang, F, Lin, D, Cheng, W, Bao, X, Zhu, B, Shang, H. | Deposit date: | 2020-08-05 | Release date: | 2020-08-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Crystal Structure of human LDHA from Biortus To Be Published
|
|
7SIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7siu by Molmil](/molmil-images/mine/7siu) | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
|
|
3G42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g42 by Molmil](/molmil-images/mine/3g42) | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | Descriptor: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | Authors: | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | Deposit date: | 2009-02-03 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem., 17, 2009
|
|
3GF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gf7 by Molmil](/molmil-images/mine/3gf7) | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum apoprotein | Descriptor: | Glutaconyl-CoA decarboxylase subunit A, SULFATE ION | Authors: | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | Deposit date: | 2009-02-26 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases J.Biol.Chem., 284, 2009
|
|
1UYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uyh by Molmil](/molmil-images/mine/1uyh) | Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | Descriptor: | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
|
|