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4WXI
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BU of 4wxi by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
Descriptor: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ...
Authors:Wei, A.
Deposit date:2014-11-13
Release date:2015-01-28
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1T17
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BU of 1t17 by Molmil
Solution Structure of the 18 kDa Protein CC1736 from Caulobacter crescentus: The Northeast Structural Genomics Consortium Target CcR19
Descriptor: conserved hypothetical protein
Authors:Shen, Y, Atreya, H.S, Acton, T, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-04-15
Release date:2005-01-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of the 18 kDa protein CC1736 from Caulobacter crescentus identifies a member of the START domain superfamily and suggests residues mediating substrate specificity.
Proteins, 58, 2005
6WGH
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BU of 6wgh by Molmil
Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: CITRATE ANION, GLYCEROL, GTPase NRas, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-04-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
6QVP
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BU of 6qvp by Molmil
Crystal structure of the peptidoglycan-binding domain of SiiA from Salmonella enterica
Descriptor: Inner membrane protein, PHOSPHATE ION
Authors:Kirchweger, P, Muller, Y.A.
Deposit date:2019-03-04
Release date:2019-08-28
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica.
Mol.Microbiol., 112, 2019
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Ravera, E, Calderone, V, Luchinat, C.
Deposit date:2016-06-14
Release date:2016-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published
4AC7
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BU of 4ac7 by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with citrate
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, HYDROXIDE ION, ...
Authors:Benini, S, Kosikowska, P, Cianci, M, Gonzalez Vara, A, Berlicki, L, Ciurli, S.
Deposit date:2011-12-14
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of Sporosarcina Pasteurii Urease in a Complex with Citrate Provides New Hints for Inhibitor Design.
J.Biol.Inorg.Chem., 18, 2013
2KMU
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BU of 2kmu by Molmil
RecQL4 Amino-terminal Domain
Descriptor: ATP-dependent DNA helicase Q4
Authors:Ohlenschlager, O, Gorlach, M, Pospiech, H.
Deposit date:2009-08-05
Release date:2010-07-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The N-terminus of the human RecQL4 helicase is a homeodomain-like DNA interaction motif
Nucleic Acids Res., 40, 2012
2K5O
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BU of 2k5o by Molmil
Mouse Prion Protein (121-231) with Mutation S170N
Descriptor: Major prion protein
Authors:Perez, D.R, Wuthrich, K.
Deposit date:2008-06-30
Release date:2008-12-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Structure of the Bank Vole Prion Protein at 20 degrees C Contains a Structured Loop of Residues 165-171
J.Mol.Biol., 383, 2008
4O7I
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BU of 4o7i by Molmil
Structural and functional characterization of 3'(2'),5'-bisphosphate nucleotidase1 from Entamoeba histolytica
Descriptor: 3'(2'),5'-bisphosphate nucleotidase, putative, MAGNESIUM ION, ...
Authors:Tarique, K.F, Rehman, S.A.A, Gourinath, S.
Deposit date:2013-12-24
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural elucidation of a dual-activity PAP phosphatase-1 from Entamoeba histolytica capable of hydrolysing both 3'-phosphoadenosine 5'-phosphate and inositol 1,4-bisphosphate
Acta Crystallogr.,Sect.D, 70, 2014
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7Z0X
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BU of 7z0x by Molmil
THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
2HVQ
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BU of 2hvq by Molmil
Structure of Adenylated full-length T4 RNA Ligase 2
Descriptor: Hypothetical 37.6 kDa protein in Gp24-hoc intergenic region, MAGNESIUM ION
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2HVS
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BU of 2hvs by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 2'-deoxyribonucleotide at the nick
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2HVR
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BU of 2hvr by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 3'-deoxyribonucleotide at the nick
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2JYK
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BU of 2jyk by Molmil
NMR Structure of a 21 bp DNA duplex preferentially cleaved by Human Topoisomerase II
Descriptor: DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DTP*DCP*DGP*DAP*DTP*DCP*DAP*DCP*DGP*DT)-3'), DNA (5'-D(*DAP*DCP*DGP*DTP*DGP*DAP*DTP*DCP*DGP*DAP*DTP*DGP*DAP*DTP*DAP*DAP*DGP*DCP*DTP*DGP*DT)-3')
Authors:Masliah, G, Mauffret, O.
Deposit date:2007-12-14
Release date:2008-07-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Identification of intrinsic dynamics in a DNA sequence preferentially cleaved by topoisomerase II enzyme
J.Mol.Biol., 381, 2008
1MFA
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BU of 1mfa by Molmil
STRUCTURE OF A SINGLE-CHAIN FV FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7 ANGSTROMS RESOLUTION
Descriptor: IGG1-LAMBDA SE155-4 FAB (HEAVY CHAIN), IGG1-LAMBDA SE155-4 FAB (LIGHT CHAIN), alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]methyl alpha-D-mannopyranoside
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-10-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a single-chain antibody variable domain (Fv) fragment complexed with a carbohydrate antigen at 1.7-A resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
3EB3
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BU of 3eb3 by Molmil
Voltage-dependent K+ channel beta subunit (W121A) in complex with cortisone
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2
Authors:Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M.
Deposit date:2008-08-26
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Nat.Chem.Biol., 4, 2008
8A76
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BU of 8a76 by Molmil
Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26
Descriptor: (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Vascon, F, Legru, A, Hernandez, J.F, Cendron, L.
Deposit date:2022-06-20
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
3EB4
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BU of 3eb4 by Molmil
Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2
Authors:Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M.
Deposit date:2008-08-26
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Nat.Chem.Biol., 4, 2008
2WXD
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BU of 2wxd by Molmil
A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE
Descriptor: 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Besle, A, Burmeister, W.P.
Deposit date:2009-11-09
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase
Acta Crystallogr.,Sect.F, 66, 2010
6SKY
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BU of 6sky by Molmil
FAT and kinase domain of CtTel1
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
Authors:Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
Deposit date:2019-08-16
Release date:2019-10-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
6SL0
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BU of 6sl0 by Molmil
Complete CtTel1 dimer with C2 symmetry
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
Authors:Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
Deposit date:2019-08-16
Release date:2019-10-30
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
4ICC
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BU of 4icc by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0064
Descriptor: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
Deposit date:2012-12-10
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
8GBX
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BU of 8gbx by Molmil
Crystal structure of PC39-50I, an anti-HIV broadly neutralizing antibody
Descriptor: PC39-50I Fab heavy chain, PC39-50I Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBY
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BU of 8gby by Molmil
Crystal structure of PC39-50E, an anti-HIV broadly neutralizing antibody
Descriptor: GLYCEROL, PC39-50E Fab heavy chain, PC39-50E Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023

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數據於2024-07-17公開中

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