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5SU4
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E02 from the F2X-Universal Library
分子名称: A1 cistron-splicing factor AAR2, N-[(3-bromophenyl)methyl]acetamide, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5SUA
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PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F12 from the F2X-Universal Library
分子名称: 3-oxo-3-(thiomorpholin-4-yl)propanenitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5SUG
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BU of 5sug by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H05 from the F2X-Universal Library
分子名称: 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
登録日2022-08-26
公開日2022-11-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
分子名称: Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
2X0J
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BU of 2x0j by Molmil
2.8 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH ETHENO-NAD
分子名称: ETHENO-NAD, MALATE DEHYDROGENASE, SULFATE ION
著者Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M, Karshikoff, A, Tibbelin, G, Ladenstein, R, Lien, T, Birkeland, N.K.
登録日2009-12-14
公開日2009-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.786 Å)
主引用文献The 2.9A Resolution Crystal Structure of Malate Dehydrogenase from Archaeoglobus Fulgidus: Mechanisms of Oligomerisation and Thermal Stabilisation.
J.Mol.Biol., 335, 2004
7KFL
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BU of 7kfl by Molmil
Crystal structure of the cargo-binding domain from the plant class XI myosin (MyoXIk)
分子名称: Myosin-17
著者Turowski, V.R, Ruiz, D.M, Nascimento, A.F.Z, Millan, C, Sammito, M.D, Juanhuix, J, Cremonesi, A.S, Uson, I, Giuseppe, P.O, Murakami, M.T.
登録日2020-10-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the class XI myosin globular tail reveals evolutionary hallmarks for cargo recognition in plants.
Acta Crystallogr D Struct Biol, 77, 2021
1YMB
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BU of 1ymb by Molmil
HIGH RESOLUTION STUDY OF THE THREE-DIMENSIONAL STRUCTURE OF HORSE HEART METMYOGLOBIN
分子名称: METMYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Evans, S.V, Brayer, G.D.
登録日1993-09-27
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution study of the three-dimensional structure of horse heart metmyoglobin.
J.Mol.Biol., 213, 1990
5WLT
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BU of 5wlt by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
分子名称: CALCIUM ION, Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.286 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
7B0H
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BU of 7b0h by Molmil
TgoT_6G12 Ternary complex
分子名称: DNA (5'-D(P*AP*AP*CP*GP*GP*CP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ...
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-19
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
1JKL
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BU of 1jkl by Molmil
1.6A X-RAY STRUCTURE OF BINARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE
分子名称: DEATH-ASSOCIATED PROTEIN KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
登録日2001-07-12
公開日2002-04-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
5CTM
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BU of 5ctm by Molmil
Structure of BPu1 beta-lactamase
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-18
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
4O3N
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BU of 4o3n by Molmil
Crystal structure of human dna polymerase eta in ternary complex with native dna and incoming nucleotide (dcp)
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Patra, A, Egli, M.
登録日2013-12-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
5O2E
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BU of 5o2e by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement
分子名称: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-05-20
公開日2018-12-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
7M72
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BU of 7m72 by Molmil
MHC-like protein complex structure
分子名称: (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Thirunavukkarasu, P, Le Nours, J, Rossjohn, J.
登録日2021-03-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Host immunomodulatory lipids created by symbionts from dietary amino acids.
Nature, 600, 2021
5Y36
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BU of 5y36 by Molmil
Cryo-EM structure of SpCas9-sgRNA-DNA ternary complex
分子名称: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, complementary DNA strand, ...
著者Huang, Q, Li, G, Huai, C.
登録日2017-07-27
公開日2017-12-06
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Structural insights into DNA cleavage activation of CRISPR-Cas9 system
Nat Commun, 8, 2017
7ZVS
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BU of 7zvs by Molmil
Crystal structure of the Schistosoma mansoni VKR2 kinase domain in an active-like state (ADP-bound)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Venus kinase receptor 2
著者Beis, K, Mathavan, I.
登録日2022-05-17
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Identification of Inhibitors of the Schistosoma mansoni VKR2 Kinase Domain.
Acs Med.Chem.Lett., 13, 2022
5O2F
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BU of 5o2f by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-05-20
公開日2018-12-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
7MFC
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BU of 7mfc by Molmil
Crystal structure of CSF1R in complex with vimseltinib
分子名称: Macrophage colony-stimulating factor 1 receptor, Vimseltinib
著者Abendroth, J, Davies, D.R, Atkins, K.
登録日2021-04-08
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Vimseltinib: A Precision CSF1R Therapy for Tenosynovial Giant Cell Tumors and Diseases Promoted by Macrophages.
Mol.Cancer Ther., 20, 2021
5WC9
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BU of 5wc9 by Molmil
Human Pit-1 and 4xCATT DNA complex
分子名称: DNA (5'-D(*CP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*CP*CP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*GP*T)-3'), Pituitary-specific positive transcription factor 1
著者Agarwal, S, Cho, T.Y.
登録日2017-06-29
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Biochemical and structural characterization of a novel cooperative binding mode by Pit-1 with CATT repeats in the macrophage migration inhibitory factor promoter.
Nucleic Acids Res., 46, 2018
8I3Q
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BU of 8i3q by Molmil
Cryo-EM structure of Cas12g-sgRNA binary complex
分子名称: Cas12g, RNA (139-MER), ZINC ION
著者Ouyang, S.Y, Liu, M.X, Li, Z.K.
登録日2023-01-17
公開日2023-09-06
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
6EZZ
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BU of 6ezz by Molmil
Crystal structure of Escherichia coli amine oxidase mutant E573Q
分子名称: CALCIUM ION, COPPER (II) ION, GLYCEROL, ...
著者Gaule, T.G, Smith, M.A, Tych, K.M, Pirrat, P, Trinh, C.H, Pearson, A.R, Knowles, P.F, McPherson, M.J.
登録日2017-11-16
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli.
Biochemistry, 57, 2018
7MHA
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BU of 7mha by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; W252V mutant
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Boxer, S.G, Mathews, I.I, Weaver, J.B.
登録日2021-04-14
公開日2022-04-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Photosynthetic reaction center variants made via genetic code expansion indicate tyrosine at M210 tunes the mechanism for primary electron transfer
Thesis Ph.D. Stanford University, 2022
5DDI
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BU of 5ddi by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from pig muscle - holo enzyme - at 2.40 Angstrom resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Dimova, M, Devedjiev, Y.D.
登録日2015-08-24
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel enhancer binding site found in bacteria and eukaryota but not in archea.
To Be Published
1D83
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STRUCTURE REFINEMENT OF THE CHROMOMYCIN DIMER/DNA OLIGOMER COMPLEX IN SOLUTION
分子名称: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ...
著者Gao, X, Mirau, P, Patel, D.J.
登録日1992-07-22
公開日1993-07-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure refinement of the chromomycin dimer-DNA oligomer complex in solution.
J.Mol.Biol., 223, 1992

223532

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