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1HKT
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BU of 1hkt by Molmil
SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF DROSOPHILA HEAT SHOCK TRANSCRIPTION FACTOR
分子名称: HEAT-SHOCK TRANSCRIPTION FACTOR
著者Vuister, G.W, Kim, S.-J, Orosz, A, Marquardt, J.L, Wu, C, Bax, A.
登録日1994-07-18
公開日1994-09-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA-binding domain of Drosophila heat shock transcription factor.
Nat.Struct.Biol., 1, 1994
3O23
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BU of 3o23 by Molmil
Human unphosphorylated IGF1-R Kinase domain in complex with an hydantoin inhibitor
分子名称: (5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor
著者Maignan, S, Guilloteau, J.P, Dupuy, A.
登録日2010-07-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: Advantages in comparison with competitive inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
5L4I
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BU of 5l4i by Molmil
Crystal Structure of Human Transthyretin in Complex with Clonixin
分子名称: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 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
2BYB
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BU of 2byb by Molmil
Human Monoamine Oxidase B in complex with Deprenyl
分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] B, DEPRENYL, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, De Colibus, L, Edmondson, D.E, Mattevi, A.
登録日2005-07-29
公開日2005-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
3AH1
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BU of 3ah1 by Molmil
HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylneuramic acid
分子名称: Main hemagglutinin component, N-acetyl-beta-neuraminic acid
著者Nakamura, T, Tonozuka, T, Ide, A, Yuzawa, T, Oguma, K, Nishikawa, A.
登録日2010-04-13
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sugar-binding sites of the HA1 subcomponent of Clostridium botulinum type C progenitor toxin
J.Mol.Biol., 376, 2008
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
8B0S
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BU of 8b0s by Molmil
SARS-COV-2 Main Protease adduct with Au(NHC)Cl
分子名称: 3C-like proteinase nsp5, GOLD ION
著者Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L.
登録日2022-09-08
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
8P0I
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BU of 8p0i by Molmil
Crystal structure of the open conformation of insulin-regulated aminopeptidase in complex with a small-MW inhibitor
分子名称: 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Stratikos, E.
登録日2023-05-10
公開日2024-09-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Stabilization of the open conformation omicron f insulin-regulated aminopeptidase by a novel substrate-selective small-molecule inhibitor.
Protein Sci., 33, 2024
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
1HXF
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BU of 1hxf by Molmil
HUMAN THROMBIN COMPLEX WITH HIRUDIN VARIANT
分子名称: HIRUDIN VARIANT, THROMBIN
著者Tulinsky, A, Zhang, E.
登録日1996-09-09
公開日1997-01-27
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The molecular environment of the Na+ binding site of thrombin.
Biophys.Chem., 63, 1997
4JFJ
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BU of 4jfj by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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
4FVO
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BU of 4fvo by Molmil
Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-29
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
8PJM
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BU of 8pjm by Molmil
Metallo beta-lactamase VIM2 with compound AK110
分子名称: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
著者Lucic, A, Hinchliffe, P, Schofield, C.
登録日2023-06-23
公開日2023-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Metallo beta-lactamase VIM2 with compound AK110
To Be Published
5L4O
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BU of 5l4o by Molmil
Structure of an E.coli initiator tRNAfMet A1-U72 variant
分子名称: SODIUM ION, tRNA (76-MER)
著者Monestier, A, Schmitt, E, Mechulam, Y.
登録日2016-05-26
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献The structure of an E. coli tRNAf(Met) A1-U72 variant shows an unusual conformation of the A1-U72 base pair.
RNA, 23, 2017
4R3P
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BU of 4r3p by Molmil
Crystal structures of EGFR in complex with Mig6
分子名称: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1
著者Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
登録日2014-08-17
公開日2015-08-12
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
5L4J
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BU of 5l4j by Molmil
Crystal Structure of Human Transthyretin in Complex with 4,4'-Dihydroxydiphenyl sulfone (Bisphenol S, BPS)
分子名称: 4-(4-hydroxyphenyl)sulfonylphenol, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
8Q3U
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BU of 8q3u by Molmil
Crystal structure of a fentanyl derivative in complex with human CA VII
分子名称: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ...
著者Alterio, V, Di Fiore, A, De Simone, G.
登録日2023-08-04
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
4CU5
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BU of 4cu5 by Molmil
C-terminal domain of endolysin from phage CD27L is a trigger and release factor
分子名称: ENDOLYSIN
著者Dunne, M, Mertens, H.D.T, Garefalaki, V, Jeffries, C.M, Thompson, A, Lemke, E.A, Svergun, D.I, Mayer, M.J, Narbad, A, Meijers, R.
登録日2014-03-17
公開日2014-08-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The Cd27L and Ctp1L Endolysins Targeting Clostridia Contain a Built-in Trigger and Release Factor.
Plos Pathog., 10, 2014
5L4F
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BU of 5l4f by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,6-Dinitro-p-cresol (DNPC)
分子名称: 2,6-Dinitro-p-cresol, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
1I34
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BU of 1i34 by Molmil
SOLUTION DNA QUADRUPLEX WITH DOUBLE CHAIN REVERSAL LOOP AND TWO DIAGONAL LOOPS CONNECTING GGGG TETRADS FLANKED BY G-(T-T) TRIAD AND T-T-T TRIPLE
分子名称: 5'-D(*GP*GP*TP*TP*TP*TP*GP*GP*CP*AP*GP*GP*GP*TP*TP*TP*TP*GP*GP*T)-3'
著者Kuryavyi, V, Majumdar, A, Shallop, A, Chernichenko, N, Skripkin, E, Jones, R, Patel, D.J.
登録日2001-02-12
公開日2001-06-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A double chain reversal loop and two diagonal loops define the architecture of a unimolecular DNA quadruplex containing a pair of stacked G(syn)-G(syn)-G(anti)-G(anti) tetrads flanked by a G-(T-T) Triad and a T-T-T triple.
J.Mol.Biol., 310, 2001
1DZA
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BU of 1dza by Molmil
3-D structure of a HP-RNase
分子名称: RIBONUCLEASE 1
著者Pous, J, Canals, A, Terzyan, S.S, Guasch, A, Benito, A, Ribo, M, Vilanova, M, Coll, M.
登録日2000-02-21
公開日2001-02-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Three-Dimensional Structure of a Human Pancreatic Ribonuclease Variant, a Step Forward in the Design of Cytotoxic Ribonucleases
J.Mol.Biol., 303, 2000
2XE7
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BU of 2xe7 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and ADP
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, PHOSPHOGLYCERATE KINASE 1
著者Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
登録日2010-05-11
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011

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