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1IAI
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BU of 1iai by Molmil
IDIOTYPE-ANTI-IDIOTYPE FAB COMPLEX
Descriptor: ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A), IDIOTYPIC FAB 730.1.4 (IGG1) OF VIRUS NEUTRALIZING ANTIBODY
Authors:Ban, N, Escobar, C, Garcia, R, Hasel, K, Day, J, Greenwood, A, McPherson, A.
Deposit date:1993-12-28
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of an idiotype-anti-idiotype Fab complex.
Proc.Natl.Acad.Sci.USA, 91, 1994
2BGE
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BU of 2bge by Molmil
Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors
Descriptor: 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE, PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BGD
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BU of 2bgd by Molmil
Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors
Descriptor: 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4MGR
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BU of 4mgr by Molmil
The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT
Descriptor: ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ...
Authors:Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
Deposit date:2013-08-28
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N0B
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BU of 4n0b by Molmil
Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT
Descriptor: ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ...
Authors:Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
Deposit date:2013-10-01
Release date:2013-10-30
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
5JH7
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BU of 5jh7 by Molmil
Tubulin-Eribulin complex
Descriptor: (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O.
Deposit date:2016-04-20
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
7AUT
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BU of 7aut by Molmil
Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation K63A
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION
Authors:Marquez-Monino, M.A, Ortega-Garcia, R, Gonzalez, B.
Deposit date:2020-11-03
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7Z55
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BU of 7z55 by Molmil
Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in complex with its substrate
Descriptor: ACETATE ION, CRISPR-associated protein, Cyclic RNA cA4, ...
Authors:Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G.
Deposit date:2022-03-08
Release date:2022-11-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.664 Å)
Cite:Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
7Z56
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BU of 7z56 by Molmil
Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in its apo form
Descriptor: CRISPR-associated protein
Authors:Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G.
Deposit date:2022-03-08
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
7XYO
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BU of 7xyo by Molmil
Crystal Structure of a M61 aminopeptidase family member from Myxococcus fulvus
Descriptor: Aminopeptidase M61, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
Authors:Chen, X, Wang, X, Huo, L, Wu, D.
Deposit date:2022-06-02
Release date:2023-06-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Characterization of a Myxobacterial Lanthipeptide with Unique Biosynthetic Features and Anti-inflammatory Activity.
J.Am.Chem.Soc., 145, 2023
1AIF
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BU of 1aif by Molmil
ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB FROM MOUSE
Descriptor: ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (HEAVY CHAIN), ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (LIGHT CHAIN)
Authors:Ban, N, Escobar, C, Hasel, K, Day, J, Greenwood, A, McPherson, A.
Deposit date:1994-11-14
Release date:1997-02-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of an anti-idiotypic Fab against feline peritonitis virus-neutralizing antibody and a comparison with the complexed Fab.
FASEB J., 9, 1995
6ZP7
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BU of 6zp7 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up open conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6ZOW
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BU of 6zow by Molmil
SARS-CoV-2 spike in prefusion state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-07
Release date:2020-07-29
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6ZP5
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BU of 6zp5 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up closed conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
8PPI
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BU of 8ppi by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PP8
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BU of 8pp8 by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn
Descriptor: Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPA
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BU of 8ppa by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn
Descriptor: D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPC
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BU of 8ppc by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPB
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BU of 8ppb by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PP9
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BU of 8pp9 by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPJ
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BU of 8ppj by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPE
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BU of 8ppe by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPG
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BU of 8ppg by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPF
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BU of 8ppf by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg
Descriptor: Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPD
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BU of 8ppd by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate, Inositol-trisphosphate 3-kinase A, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024

 

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