2XUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xup by Molmil](/molmil-images/mine/2xup) | CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ... | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
|
|
8UHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uhv by Molmil](/molmil-images/mine/8uhv) | X-ray crystal structure of Toxoplasma gondii Apo GalNAc-T3 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glycosyl transferase | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-09 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
|
|
8UJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ujh by Molmil](/molmil-images/mine/8ujh) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and a CST1 diglycopeptide. | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, Glycosyl transferase, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
|
|
6O3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o3h by Molmil](/molmil-images/mine/6o3h) | Icosahedral reconstruction of the thermophilic bacteriophage P74-26 capsid | Descriptor: | Major head protein, P74-26 Head Decoration Protein | Authors: | Stone, N.P, Demo, G, Agnello, E, Kelch, B.A. | Deposit date: | 2019-02-26 | Release date: | 2019-07-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Principles for enhancing virus capsid capacity and stability from a thermophilic virus capsid structure. Nat Commun, 10, 2019
|
|
8UI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ui1 by Molmil](/molmil-images/mine/8ui1) | |
8UJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uje by Molmil](/molmil-images/mine/8uje) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
|
|
1OCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ocs by Molmil](/molmil-images/mine/1ocs) | Crystal structure of the yeast PX-doamin protein Grd19p (sorting nexin3) complexed to phosphatidylinosytol-3-phosphate. | Descriptor: | GLYCEROL, SORTING NEXIN GRD19 | Authors: | Zhou, C.Z, Li De La Sierra-Gallay, I, Cheruel, S, Collinet, B, Minard, P, Blondeau, K, Henkes, G, Aufrere, R, Leulliot, N, Graille, M, Sorel, I, Savarin, P, De La Torre, F, Poupon, A, Janin, J, Van Tilbeurgh, H. | Deposit date: | 2003-02-10 | Release date: | 2003-12-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of the Yeast Phox Homology (Px) Protein Grd19P (Sorting Nexin 3) Complexed to Phosphatidylinositol-3-Phosphate J.Biol.Chem., 278, 2003
|
|
4YZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yz1 by Molmil](/molmil-images/mine/4yz1) | Crystal Structure of Streptococcus pneumoniae NanC, apo structure. | Descriptor: | Putative neuraminidase, SULFATE ION | Authors: | Lukacik, P, Owen, D.O, Potter, J.A, Taylor, G.L, Walsh, M.A. | Deposit date: | 2015-03-24 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
|
|
7MFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mfb by Molmil](/molmil-images/mine/7mfb) | Crystal structure of antibody 10E8v4 Fab - light chain H31F variant | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
|
|
1V7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v7u by Molmil](/molmil-images/mine/1v7u) | Crystal structure of Undecaprenyl Pyrophosphate Synthase with farnesyl pyrophosphate | Descriptor: | FARNESYL DIPHOSPHATE, Undecaprenyl pyrophosphate synthetase | Authors: | Chang, S.-Y, Ko, T.-P, Chen, A.P.-C, Wang, A.H.-J, Liang, P.-H. | Deposit date: | 2003-12-24 | Release date: | 2004-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Substrate binding mode and reaction mechanism of undecaprenyl pyrophosphate synthase deduced from crystallographic studies Protein Sci., 13, 2004
|
|
3EPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3epm by Molmil](/molmil-images/mine/3epm) | Crystal structure of Caulobacter crescentus ThiC | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, SULFATE ION, Thiamine biosynthesis protein thiC, ... | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-10-28 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily Nat.Chem.Biol., 4, 2008
|
|
6NAN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nan by Molmil](/molmil-images/mine/6nan) | NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition | Descriptor: | Ixolaris | Authors: | De Paula, V.S, Sgourakis, N.G, Francischetti, I.M.B, Almeida, F.C.L, Monteiro, R.Q, Valente, A.P. | Deposit date: | 2018-12-06 | Release date: | 2019-06-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR structure determination of Ixolaris and factor X(a) interaction reveals a noncanonical mechanism of Kunitz inhibition. Blood, 134, 2019
|
|
5WFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wft by Molmil](/molmil-images/mine/5wft) | PelB 319-436 from Pseudomonas aeruginosa PAO1 | Descriptor: | PelB | Authors: | Marmont, L.S, Howell, P.L. | Deposit date: | 2017-07-12 | Release date: | 2017-10-04 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.821 Å) | Cite: | PelA and PelB proteins form a modification and secretion complex essential for Pel polysaccharide-dependent biofilm formation in Pseudomonas aeruginosa. J. Biol. Chem., 292, 2017
|
|
4ZJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zjc by Molmil](/molmil-images/mine/4zjc) | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | Descriptor: | OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase | Authors: | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M. | Deposit date: | 2015-04-29 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.832 Å) | Cite: | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors. Nat.Struct.Mol.Biol., 23, 2016
|
|
3EBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ebd by Molmil](/molmil-images/mine/3ebd) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
|
|
1OA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oa2 by Molmil](/molmil-images/mine/1oa2) | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE | Authors: | Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C. | Deposit date: | 2002-12-28 | Release date: | 2003-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability Protein Sci., 12, 2003
|
|
7MF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mf9 by Molmil](/molmil-images/mine/7mf9) | Crystal structure of antibody 10E8v4-P100fA Fab in space group C2 | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
|
|
2Y02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y02 by Molmil](/molmil-images/mine/2y02) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST CARMOTEROL | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CARMOTEROL, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
|
|
3ZNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3znm by Molmil](/molmil-images/mine/3znm) | H5 Haemagglutinin in Complex with Sialyl-Lewis X | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HAEMAGGLUTININ, ... | Authors: | Xiong, X, Tuzikov, A, Coombs, P, Martin, S.R, Walker, P.A, Gamblin, S.J, Bovin, N, Skehel, J.J. | Deposit date: | 2013-02-15 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of Sulphated and Fucosylated Receptor Sialosides by A/Vietnam/1194/2004 (H5N1) Influenza Virus. Virus Res., 178, 2013
|
|
5WIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wiu by Molmil](/molmil-images/mine/5wiu) | Structure of the human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
|
|
7RNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rnm by Molmil](/molmil-images/mine/7rnm) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)isoindolin-5-ol and GRIP Peptide | Descriptor: | 2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | Deposit date: | 2021-07-29 | Release date: | 2022-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines Helv.Chim.Acta, 106, 2023
|
|
1UTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1utd by Molmil](/molmil-images/mine/1utd) | The structure of the trp RNA-binding attenuation protein (TRAP) bound to a 63-nucleotide RNA molecule containing GAGUUU repeats | Descriptor: | 5'-R(*GP*UP*UP*UP*GP*AP)-3', TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN | Authors: | Hopcroft, N.H, Manfredo, A, Wendt, A.L, Brzozowski, A.M, Gollnick, P, Antson, A.A. | Deposit date: | 2003-12-08 | Release date: | 2004-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Interaction of RNA with Trap: The Role of Triplet Repeats and Separating Spacer Nucleotides J.Mol.Biol., 338, 2004
|
|
3ERH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3erh by Molmil](/molmil-images/mine/3erh) | First structural evidence of substrate specificity in mammalian peroxidases: Crystal structures of substrate complexes with lactoperoxidases from two different species | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Sheikh, I.A, Singh, N, Singh, A.K, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2008-10-02 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION J.Biol.Chem., 284, 2009
|
|
2XUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xuh by Molmil](/molmil-images/mine/2xuh) | CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (10 MTH) | Descriptor: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
|
|
2XUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xuo by Molmil](/molmil-images/mine/2xuo) | CRYSTAL STRUCTURE OF MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI inhibitor | Descriptor: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
|
|