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8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
分子名称: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
6O3I
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BU of 6o3i by Molmil
Crystal Structure of Human IDO1 bound to navoximod (NLG-919)
分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
著者Harris, S.F, Oh, A.
登録日2019-02-26
公開日2019-07-17
最終更新日2019-08-07
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1.
J.Med.Chem., 62, 2019
8BAU
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BU of 8bau by Molmil
Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
3I2C
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BU of 3i2c by Molmil
Crystal structure of anti-IL-23 antibody CNTO4088
分子名称: CNTO4088 HEAVY CHAIN, CNTO4088 LIGHT CHAIN, GLYCEROL
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2009-06-29
公開日2009-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Noncanonical conformation of CDR L1 in the anti-IL-23 antibody CNTO4088.
Acta Crystallogr.,Sect.F, 66, 2010
5DK0
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BU of 5dk0 by Molmil
Fc Heterodimer Design 20.8.34 Y349S/T366M/K370Y/K409V + E356G/E357D/S364Q/Y407A
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5E27
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BU of 5e27 by Molmil
The structure of Resuscitation Promoting Factor B from M. tuberculosis reveals unexpected ubiquitin-like domains
分子名称: Resuscitation-promoting factor RpfB
著者Ruggiero, A, Squeglia, F, Romano, M, Vitagliano, L, De Simone, A, Berisio, R.
登録日2015-09-30
公開日2015-11-18
最終更新日2015-12-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains.
Biochim.Biophys.Acta, 1860, 2015
5DS0
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BU of 5ds0 by Molmil
Crystal structure of TET aminopeptidase from marine sediment archaeon Thaumarchaeota archaeon SCGC AB-539-E09
分子名称: COBALT (II) ION, GLYCEROL, Peptidase M42
著者Michalska, K, Chhor, G, Mootz, J, Endres, M, Jedrzejczak, R, Babnigg, G, Steen, A, Lloyd, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-09-16
公開日2015-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of TET aminopeptidase from marine sediment archaeon Thaumarchaeota archaeon SCGC AB-539-E09
To Be Published
5ZAU
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BU of 5zau by Molmil
Complex of the human FYN SH3 and monobody binder
分子名称: Monobody Binder, Tyrosine-protein kinase Fyn
著者Reddy, P.P, Gulyani, A, Das, R.
登録日2018-02-09
公開日2019-09-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Fyn biosensor reveals pulsatile, spatially localized kinase activity and signaling crosstalk in live mammalian cells.
Elife, 9, 2020
5DJX
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BU of 5djx by Molmil
Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
1HIZ
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BU of 1hiz by Molmil
Xylanase T6 (Xt6) from Bacillus Stearothermophilus
分子名称: ENDO-1,4-BETA-XYLANASE, SULFATE ION, alpha-D-galactopyranose, ...
著者Sainz, G, Tepplitsky, A, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
登録日2001-01-05
公開日2002-01-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure Determination of the Extracellular Xylanase from Geobacillus Stearothermophilus by Selenomethionyl MAD Phasing
Acta Crystallogr.,Sect.D, 60, 2004
4JW2
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BU of 4jw2 by Molmil
Selection of specific protein binders for pre-defined targets from an optimized library of artificial helicoidal repeat proteins (alphaRep)
分子名称: 1,2-ETHANEDIOL, A3 artificial protein, bA3-2: binder of A3 protein
著者Guellouz, A, Valerio-Lepiniec, M, Urvoas, A, Chevrel, A, Graille, M, Fourati-Kammoun, Z, Desmadril, M, van Tilbeurgh, H, Minard, P.
登録日2013-03-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selection of Specific Protein Binders for Pre-Defined Targets from an Optimized Library of Artificial Helicoidal Repeat Proteins (alphaRep).
Plos One, 8, 2013
5DN9
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BU of 5dn9 by Molmil
Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, FDH, ...
著者Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
登録日2015-09-09
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016
6Z2C
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BU of 6z2c by Molmil
Engineered lipocalin C3A5 in complex with a transition state analog
分子名称: 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, Neutrophil gelatinase-associated lipocalin
著者Skerra, A, Eichinger, A.
登録日2020-05-15
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of an engineered lipocalin that catalyzes a Diels-Alder reaction
To be published
6NZL
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BU of 6nzl by Molmil
Solution structure of POS-1, a CCCH-type Tandem Zinc Finger protein from C. elegans
分子名称: Cytoplasmic zinc-finger protein, ZINC ION
著者Ertekin, A, Massi, F.
登録日2019-02-14
公開日2020-10-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of POS-1, a CCCH-type Tandem Zinc Finger protein from C. elegans
To Be Published
6Z2T
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BU of 6z2t by Molmil
Three-dimensional structure of an influenza hemagglutinin LAH protein in its post-fusion conformation
分子名称: Hemagglutinin, PHOSPHATE ION
著者Kirsteina, A, Kazaks, A, Tars, K.
登録日2020-05-18
公開日2021-06-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Three-dimensional structure of an influenza hemagglutinin LAH protein
To Be Published
5DPO
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BU of 5dpo by Molmil
The crystal structure of uncharacterized protein (LPG2149) from Legionella pneumophila
分子名称: Uncharacterized protein
著者Nocek, B, Cuff, M, Evdokimova, E, Joachimiak, A, Savchenko, A.
登録日2015-09-13
公開日2015-11-25
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献The crystal structure of uncharacterized protein (LPG2149) from Legionella pneumophila
To Be Published
5DVK
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BU of 5dvk by Molmil
Fc Design 7.7 B chain homodimer T366V/K409I
分子名称: Ig gamma-1 chain C region
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-21
公開日2016-03-30
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
6Z6Z
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BU of 6z6z by Molmil
Crystal structure of an Anticalin directed towards colchicine without ligand
分子名称: CALCIUM ION, Neutrophil gelatinase-associated lipocalin
著者Skerra, A, Eichinger, A.
登録日2020-05-29
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural rearrangement in the ligand pocket of Colchicalin upon Colchicine binding
To be published
6YWW
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BU of 6yww by Molmil
MeCP2 is a microsatellite binding protein that protects CA repeats from nucleosome invasion
分子名称: DNA (5'-D(*AP*TP*AP*TP*AP*AP*TP*TP*GP*TP*GP*TP*GP*TP*GP*TP*GP*CP*AP*G)-3'), DNA/RNA (5'-D(*TP*CP*TP*GP*CP*AP*CP*A)-R(P*(5HC))-D(P*AP*CP*AP*CP*AP*AP*TP*TP*AP*TP*A)-3'), Truncated methyl CpG binding protein 2 transcript 1
著者Ibrahim, A, Papin, C, Mohideen-Abdul, K, Gras, S.L, Stoll, I, Bronner, C, Dimitrov, S, Klaholz, B.P, Hamiche, A.
登録日2020-04-30
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献MeCP2 is a microsatellite binding protein that protects CA repeats from nucleosome invasion.
Science, 372, 2021
5DYF
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BU of 5dyf by Molmil
The crystal structure of Aminopeptidase N in complex with N-benzyl-1,2-diaminoethylphosphonic acid
分子名称: Aminopeptidase N, GLYCEROL, IMIDAZOLE, ...
著者Nocek, B, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-09-24
公開日2015-11-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献The crystal structure of Aminopeptidase N in complex with N-benzyl-1,2-diaminoethylphosphonic acid
To Be Published
6QZH
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BU of 6qzh by Molmil
Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA
分子名称: 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ...
著者Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J.
登録日2019-03-11
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7.
Cell, 178, 2019
8B7P
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BU of 8b7p by Molmil
Crystal structure of an AA9 LPMO from Aspergillus nidulans, AnLPMOC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Endo-beta-1,4-glucanase D
著者Males, A, Rafael Fanchini Terrasan, C, Davies, G.J, Walton, P.H.
登録日2022-09-30
公開日2023-10-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Characterisation of lytic polysaccharide monooxygenases from Aspergillus nidulans
To Be Published
8F11
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T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label
分子名称: 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wilson, M.A, Madzelan, P, Rajca, A, Stein, R, Yang, Z.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.
J.Am.Chem.Soc., 145, 2023
6ZGO
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BU of 6zgo by Molmil
Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-06-19
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
To be published
5HOD
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BU of 5hod by Molmil
Structure of LHX4 transcription factor complexed with DNA
分子名称: DNA (5'-D(P*AP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*CP*GP*TP*AP*AP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*TP*TP*AP*CP*GP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*T)-3'), LIM/homeobox protein Lhx4
著者Morgunova, E, Yin, Y, Popov, A, Taipale, J.
登録日2016-01-19
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.682 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017

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