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5NBK
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NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data
分子名称: CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-03-02
公開日2018-10-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5D0U
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BU of 5d0u by Molmil
Crystal structure of the RNA-helicase Prp43 from Chaetomium thermophilum bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Tauchert, M.J, Ficner, R.
登録日2015-08-03
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.919 Å)
主引用文献Structural and functional analysis of the RNA helicase Prp43 from the thermophilic eukaryote Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 72, 2016
5N0I
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BU of 5n0i by Molmil
Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J.
登録日2017-02-03
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
6YSV
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BU of 6ysv by Molmil
E. coli anaerobic trifunctional enzyme subunit-alpha
分子名称: Fatty acid oxidation complex subunit alpha, SULFATE ION
著者Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
登録日2020-04-23
公開日2021-05-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes
Structure, 2023
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
分子名称: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
著者Liu, S.
登録日2015-08-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
6YSW
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BU of 6ysw by Molmil
E. coli anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme A
分子名称: COENZYME A, Fatty acid oxidation complex subunit alpha, SULFATE ION
著者Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
登録日2020-04-23
公開日2021-05-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes
Structure, 2023
5OIN
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BU of 5oin by Molmil
InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5O3Y
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BU of 5o3y by Molmil
SOD1 bound to Ebsulfur
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Capper, M.J, Wright, G.S.A, Antonyuk, S.V, Hasnain, S.S.
登録日2017-05-25
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation.
Nat Commun, 9, 2018
5DKT
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BU of 5dkt by Molmil
N-terminal His tagged apPOL exonuclease mutant
分子名称: Prex DNA polymerase, SODIUM ION, SULFATE ION
著者Milton, M.E, Honzatko, R.B, Choe, J.Y, Nelson, S.W.
登録日2015-09-04
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Apicoplast DNA Polymerase from Plasmodium falciparum: The First Look at a Plastidic A-Family DNA Polymerase.
J.Mol.Biol., 428, 2016
5MHA
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BU of 5mha by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 A resolution)
分子名称: (2R)-2-hydroxyhexanoic acid, 1,2-ETHANEDIOL, 2-Ketohexanoic acid, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-05-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
8IYQ
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BU of 8iyq by Molmil
Structure of CbCas9 bound to 20-nucleotide complementary DNA substrate
分子名称: NTS, TS, deadCbCas9, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-04-05
公開日2024-06-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
3T0U
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BU of 3t0u by Molmil
Hansenula polymorpha copper amine oxidase-1 in complex with Cu(I)
分子名称: COPPER (I) ION, GLYCEROL, PHOSPHATE ION, ...
著者Klema, V.J, Wilmot, C.M.
登録日2011-07-20
公開日2012-05-02
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The precursor form of Hansenula polymorpha copper amine oxidase 1 in complex with CuI and CoII.
Acta Crystallogr.,Sect.F, 68, 2012
5OIQ
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BU of 5oiq by Molmil
InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one
分子名称: 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIP
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BU of 5oip by Molmil
InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea
分子名称: 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
7MRJ
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BU of 7mrj by Molmil
Crystal structure of a novel ubiquitin-like TINCR
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A.
登録日2021-05-07
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma.
Nat Commun, 14, 2023
4YNC
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BU of 4ync by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL-3-CYANO-3-PHENYLACRYLATE IN A NON PRODUCTIVE BINDING MODE
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, ...
著者Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
登録日2015-03-09
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
5DWX
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BU of 5dwx by Molmil
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TLOOP
分子名称: DNA (24-MER), DNA complementary strand, POTASSIUM ION
著者Parkinson, G.N, Russo Krauss, I.
登録日2015-09-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.
J.Am.Chem.Soc., 138, 2016
7NE0
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BU of 7ne0 by Molmil
Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C.
登録日2021-02-02
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling.
Cell, 184, 2021
3QNN
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BU of 3qnn by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dGT Opposite 3tCo
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA Primer, ...
著者Xia, S, Wang, M, Wang, J, Konigsberg, W.H.
登録日2011-02-08
公開日2012-02-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Using a Fluorescent Cytosine Analogue tC(o) To Probe the Effect of the Y567 to Ala Substitution on the Preinsertion Steps of dNMP Incorporation by RB69 DNA Polymerase.
Biochemistry, 51, 2012
5DTU
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BU of 5dtu by Molmil
Crystal structure of the RNA-helicase Prp28 from Chaetomium thermophilum bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Prp28
著者Tauchert, M.J, Ficner, R.
登録日2015-09-18
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献Structural analysis of the spliceosomal RNA helicase Prp28 from the thermophilic eukaryote Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 72, 2016
5OIC
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BU of 5oic by Molmil
InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol
分子名称: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Convery, M.A.
登録日2017-07-18
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIO
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BU of 5oio by Molmil
InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine
分子名称: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
7NNH
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BU of 7nnh by Molmil
Cryo-EM structure of VAR2CSA FCR3 domain DBL5/6
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Dagil, R, Salanti, A, Gourdon, P.E.
登録日2021-02-24
公開日2021-06-02
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
5Z21
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BU of 5z21 by Molmil
The ternary structure of D-lactate dehydrogenase from Fusobacterium nucleatum with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase, OXAMIC ACID
著者Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H.
登録日2017-12-28
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria.
Biochemistry, 57, 2018

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件を2024-08-07に公開中

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