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6SYA
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BU of 6sya by Molmil
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2R)-2-PHENYLPROPANOATE
Descriptor: Esterase, GLYCEROL, methyl (2~{R})-2-phenylpropanoate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase.
Comput Struct Biotechnol J, 19, 2021
6MRM
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BU of 6mrm by Molmil
Red Clover Necrotic Mosaic Virus
Descriptor: CALCIUM ION, Capsid protein
Authors:Sherman, M.B, Smith, T.J.
Deposit date:2018-10-14
Release date:2019-10-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Near-Atomic-Resolution Cryo-Electron Microscopy Structures of Cucumber Leaf Spot Virus and Red Clover Necrotic Mosaic Virus: Evolutionary Divergence at the Icosahedral Three-Fold Axes.
J.Virol., 94, 2020
4RDL
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BU of 4rdl by Molmil
Crystal structure of Norovirus Boxer P domain in complex with Lewis y tetrasaccharide
Descriptor: Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Hao, N, Chen, Y, Xia, M, Liu, W, Tan, M, Jiang, X, Li, X.
Deposit date:2014-09-19
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope.
Protein Cell, 6, 2015
4RDK
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BU of 4rdk by Molmil
Crystal structure of Norovirus Boxer P domain in complex with Lewis b tetrasaccharide
Descriptor: Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Hao, N, Chen, Y, Xia, M, Liu, W, Tan, M, Jiang, X, Li, X.
Deposit date:2014-09-19
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope.
Protein Cell, 6, 2015
5C7P
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BU of 5c7p by Molmil
Structure of Leishmania nucleoside diphostate kinase mutant P95S
Descriptor: Nucleoside diphosphate kinase
Authors:Vieira, P.S, de Giuseppe, P.O, de Oliveira, A.H.C, Murakami, M.T.
Deposit date:2015-06-24
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.144 Å)
Cite:The role of the C-terminus and Kpn loop in the quaternary structure stability of nucleoside diphosphate kinase from Leishmania parasites.
J.Struct.Biol., 192, 2015
6G4N
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BU of 6g4n by Molmil
Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, Acetylcholinesterase, ...
Authors:Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6MRL
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BU of 6mrl by Molmil
Cucumber Leaf Spot Virus
Descriptor: CALCIUM ION, p41
Authors:Sherman, M.B, Smith, T.J.
Deposit date:2018-10-14
Release date:2019-10-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Near-Atomic-Resolution Cryo-Electron Microscopy Structures of Cucumber Leaf Spot Virus and Red Clover Necrotic Mosaic Virus: Evolutionary Divergence at the Icosahedral Three-Fold Axes.
J.Virol., 94, 2020
6MS2
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BU of 6ms2 by Molmil
Crystal structure of the GH43 BlXynB protein from Bacillus licheniformis
Descriptor: CALCIUM ION, Glycoside Hydrolase Family 43
Authors:Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T.
Deposit date:2018-10-16
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43.
Biotechnol. Bioeng., 116, 2019
6G17
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BU of 6g17 by Molmil
Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
Deposit date:2018-03-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G4P
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BU of 6g4p by Molmil
Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ...
Authors:Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
5CAA
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BU of 5caa by Molmil
Structure of Leishmania nucleoside diphosphate kinase mutant P100S/del5-Cterm
Descriptor: Nucleoside diphosphate kinase
Authors:Vieira, P.S, de Giuseppe, P.O, de Oliveira, A.H.C, Murakami, M.T.
Deposit date:2015-06-29
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The role of the C-terminus and Kpn loop in the quaternary structure stability of nucleoside diphosphate kinase from Leishmania parasites.
J.Struct.Biol., 192, 2015
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
Descriptor: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
Authors:Nanao, M.
Deposit date:2014-09-10
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
4RA8
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BU of 4ra8 by Molmil
Structure analysis of the Mip1a P8A mutant
Descriptor: C-C motif chemokine 3
Authors:Liang, W.G, Ren, M, Guo, Q, Tang, W.J.
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme.
J.Mol.Biol., 427, 2015
4RAL
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BU of 4ral by Molmil
Crystal structure of insulin degrading enzyme in complex with macrophage inflammatory protein 1 beta
Descriptor: C-C motif chemokine 4, Insulin-degrading enzyme, ZINC ION
Authors:Liang, W.G, Ren, M, Guo, Q, Tang, W.J.
Deposit date:2014-09-10
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.148 Å)
Cite:Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme.
J.Mol.Biol., 427, 2015
6NL3
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BU of 6nl3 by Molmil
Solution structure of human Coa6
Descriptor: Cytochrome c oxidase assembly factor 6 homolog
Authors:Naik, M.T, Soma, S, Gohil, V.
Deposit date:2019-01-07
Release date:2019-11-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:COA6 Is Structurally Tuned to Function as a Thiol-Disulfide Oxidoreductase in Copper Delivery to Mitochondrial Cytochrome c Oxidase.
Cell Rep, 29, 2019
7C5D
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BU of 7c5d by Molmil
Crystal structure of TRF2 TRFH domain in complex with a MCPH1 peptide
Descriptor: GLYCEROL, Microcephalin, Telomeric repeat-binding factor 2
Authors:Xiong, X, Chen, Y.
Deposit date:2020-05-19
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Microcephalin 1/BRIT1-TRF2 interaction promotes telomere replication and repair, linking telomere dysfunction to primary microcephaly.
Nat Commun, 11, 2020
4RHZ
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BU of 4rhz by Molmil
Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex
Descriptor: CALCIUM ION, Cry23AA1, Cry37AA1, ...
Authors:Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A.
Deposit date:2014-10-03
Release date:2015-10-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
To be Published
6H6A
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BU of 6h6a by Molmil
Crystal structure of UNC119 in complex with LCK peptide
Descriptor: GLY-CYS-GLY-CYS-SER-SER, GLYCEROL, MYRISTIC ACID, ...
Authors:Yelland, T, ElMaghloob, Y, McIlwraith, M, Stephen, L, Ismail, S.
Deposit date:2018-07-26
Release date:2018-09-26
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Ciliary Machinery Is Repurposed for T Cell Immune Synapse Trafficking of LCK.
Dev.Cell, 47, 2018
5O4L
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BU of 5o4l by Molmil
Crystal structure of P450 CYP121 in complex with compound 6a.
Descriptor: 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-05-29
Release date:2018-03-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
6U6Z
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BU of 6u6z by Molmil
Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide
Descriptor: DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
Authors:Taylor, A.B, Yu, C.H, Ivanov, D.N.
Deposit date:2019-08-30
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
1QIV
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BU of 1qiv by Molmil
CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD), 1:2 COMPLEX
Descriptor: CALCIUM ION, CALMODULIN, N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE
Authors:Harmat, V, Bocskei, Z.S, Vertessy, B.G, Naray-Szabo, G, Ovadi, J.
Deposit date:1999-06-17
Release date:2000-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies
J.Mol.Biol., 297, 2000
1QIW
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BU of 1qiw by Molmil
Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-propylenediamine (DPD)
Descriptor: CALCIUM ION, CALMODULIN, N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE
Authors:Harmat, V, Bocskei, Z.S, Vertessy, B.G, Ovadi, J, Naray-Szabo, G.
Deposit date:1999-06-17
Release date:2000-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies
J.Mol.Biol., 297, 2000
8IZD
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BU of 8izd by Molmil
Cryo-EM structure of the C26-CoA-bound Lac1-Lip1 complex
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1, ...
Authors:Xie, T, Fang, Q, Gong, X.
Deposit date:2023-04-07
Release date:2023-12-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
6H5H
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BU of 6h5h by Molmil
A computationally designed dRP lyase domain reconstructed from two heterologous fragments
Descriptor: polb4
Authors:ElGamacy, M, Coles, M, Lupas, A.N.
Deposit date:2018-07-24
Release date:2018-12-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Asymmetric protein design from conserved supersecondary structures.
J. Struct. Biol., 204, 2018
6NZC
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BU of 6nzc by Molmil
Crystal structure of E. coli fumarase C N326A variant with closed SS Loop at 1.40 angstrom resolution
Descriptor: CITRIC ACID, Fumarate hydratase class II
Authors:Weaver, T.M, May, J.F, Bhattacharyya, B.
Deposit date:2019-02-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020

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