1ZVH
 
 | | Crystal structure of the VHH domain D2-L24 in complex with hen egg white lysozyme | | Descriptor: | Immunoglobulin heavy chain antibody variable domain, Lysozyme C | | Authors: | De Genst, E, Silence, K, Decanniere, K, Conrath, K, Loris, R, Kinne, J, Muyldermans, S, Wyns, L. | | Deposit date: | 2005-06-02 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular basis for the preferential cleft recognition by dromedary heavy-chain antibodies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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6VW9
 | | C-terminal regulatory domain of the chloride transporter KCC-1 from C. elegans, proteolyzed during crystallization | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, K+/Cl-Cotransporter | | Authors: | Zimanyi, C.M, Cheung, J. | | Deposit date: | 2020-02-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter.
Structure, 28, 2020
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1ZV5
 | | Crystal structure of the variable domain of the camelid heavy-chain antibody D2-L29 in complex with hen egg white lysozyme | | Descriptor: | Lysozyme C, PHOSPHATE ION, immunoglobulin heavy chain antibody variable domain | | Authors: | De Genst, E, Silence, K, Decanniere, K, Conrath, K, Loris, R, Kinne, J, Muyldermans, S, Wyns, L. | | Deposit date: | 2005-06-01 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the preferential cleft recognition by dromedary heavy-chain antibodies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4M0F
 | | Structure of human acetylcholinesterase in complex with territrem B | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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1ZSN
 | | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | | Descriptor: | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.992 Å) | | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
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6WB8
 | | Cryo-EM structure of PKD2 C331S disease variant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | | Authors: | Cao, E, Wang, J, Decaen, P.G. | | Deposit date: | 2020-03-26 | | Release date: | 2020-04-22 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Molecular dysregulation of ciliary polycystin-2 channels caused by variants in the TOP domain.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4M0E
 | | Structure of human acetylcholinesterase in complex with dihydrotanshinone I | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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1ZW1
 | | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | | Descriptor: | 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | | Deposit date: | 2005-06-03 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
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6VJ7
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
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1ZVC
 | | X-ray structure of allene oxide cyclase from arabidopsis thaliana AT3G25760 | | Descriptor: | MAGNESIUM ION, allene oxide cyclase | | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2005-06-01 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | X-ray structure of allene oxide cyclase from arabidopsis thaliana AT3G25760
To be published
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1ZXB
 | | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | | Descriptor: | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | | Deposit date: | 2005-06-07 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
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4DKT
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | | Authors: | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | | Deposit date: | 2012-02-04 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Acs Chem.Biol., 7, 2012
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1ZVY
 | | Crystal structure of the VHH D3-L11 in complex with hen egg white lysozyme | | Descriptor: | GLYCEROL, Immunoglobulin heavy chain antibody variable domain, Lysozyme C, ... | | Authors: | De Genst, E, Silence, K, Decanniere, K, Conrath, K, Loris, R, Kinne, J, Muyldermans, S, Wyns, L. | | Deposit date: | 2005-06-03 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Molecular basis for the preferential cleft recognition by dromedary heavy-chain antibodies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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7AY6
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b | | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ... | | Authors: | Torretta, A, Abbate, S, Parisini, E. | | Deposit date: | 2020-11-11 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
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2A6J
 | | Crystal structure analysis of the anti-arsonate germline antibody 36-65 | | Descriptor: | Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain | | Authors: | Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M. | | Deposit date: | 2005-07-02 | | Release date: | 2006-06-13 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
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4MO2
 | | Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni | | Descriptor: | AMMONIUM ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dalrymple, S.A, Protsko, C, Poulin, M.B, Lowary, T.L, Sanders, D.A.R. | | Deposit date: | 2013-09-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Specificity of a UDP-GalNAc Pyranose-Furanose Mutase: A Potential Therapeutic Target for Campylobacter jejuni Infections.
Chembiochem, 15, 2014
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4MQQ
 | | Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide | | Descriptor: | (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2013-09-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATV
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-31 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7AT9
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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6W8U
 | | Cryo-EM of the Pyrobaculum arsenaticum pilus | | Descriptor: | pilin | | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-08 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
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2A6I
 | | Crystal structure analysis of the anti-arsonate germline antibody 36-65 in complex with a phage display derived dodecapeptide KLASIPTHTSPL | | Descriptor: | Dodecapeptide: KLASIPTHTSPL, Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain | | Authors: | Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M. | | Deposit date: | 2005-07-02 | | Release date: | 2006-06-13 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
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2A3Q
 | | X-Ray Structure of Protein from Mus Musculus MM.29898 | | Descriptor: | hypothetical protein | | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2005-06-25 | | Release date: | 2005-07-19 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | X-Ray Structure of Protein from Mus Musculus MM.29898
To be Published
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2A6D
 | | Crystal structure analysis of the anti-arsonate germline antibody 36-65 in complex with a phage display derived dodecapeptide RLLIADPPSPRE | | Descriptor: | Dodecapeptide, RLLIADPPSPRE, Germline antibody 36-65 Fab Heavy chain, ... | | Authors: | Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M. | | Deposit date: | 2005-07-02 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
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6W8X
 | | Cryo-EM of the S. solfataricus pilus | | Descriptor: | pilin | | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
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