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4TV6
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BU of 4tv6 by Molmil
Crystal Structure of Citrate Synthase Variant SbnG E151Q
分子名称: 2-dehydro-3-deoxyglucarate aldolase, OXALOACETATE ION
著者Kobylarz, M.J, Grigg, J.C, Murphy, M.E.P.
登録日2014-06-26
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SbnG, a Citrate Synthase in Staphylococcus aureus: A NEW FOLD ON AN OLD ENZYME.
J.Biol.Chem., 289, 2014
7R48
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BU of 7r48 by Molmil
Bovine complex I in the presence of IM1761092, deactive class iv (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
7R47
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BU of 7r47 by Molmil
Bovine complex I in the presence of IM1761092, deactive class iii (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
6OY4
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BU of 6oy4 by Molmil
Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1
分子名称: Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ...
著者Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M.
登録日2019-05-14
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy.
J Immunol., 203, 2019
7R4C
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BU of 7r4c by Molmil
Bovine complex I in the presence of IM1761092, deactive class v (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
6VZC
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BU of 6vzc by Molmil
Tandem UU:GA mismatch within an RNA helix
分子名称: RNA 28-mer
著者Nikonowicz, E.P, Chang, A.T.
登録日2020-02-28
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献2-Amino-1,3-benzothiazole-6-carboxamide Preferentially Binds the Tandem Mismatch Motif r(UY:GA).
Biochemistry, 59, 2020
7R4F
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BU of 7r4f by Molmil
Bovine complex I in the presence of IM1761092, slack class i (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
5JVJ
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BU of 5jvj by Molmil
C4-type pyruvate phosphate dikinase: different conformational states of the nucleotide binding domain in the dimer
分子名称: MAGNESIUM ION, PHOSPHOENOLPYRUVATE, Pyruvate, ...
著者Minges, A, Hoeppner, A, Groth, G.
登録日2016-05-11
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.898 Å)
主引用文献Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase.
Sci Rep, 7, 2017
5JVN
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BU of 5jvn by Molmil
C3-type pyruvate phosphate dikinase: intermediate state of the central domain in the swiveling mechanism
分子名称: 2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ...
著者Minges, A, Hoeppner, A, Groth, G.
登録日2016-05-11
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase.
Sci Rep, 7, 2017
4U4S
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BU of 4u4s by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution.
分子名称: 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
著者Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S.
登録日2014-07-24
公開日2014-11-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
7R4G
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BU of 7r4g by Molmil
Bovine complex I in the presence of IM1761092, slack class ii (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
4U4X
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BU of 4u4x by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution.
分子名称: 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
登録日2014-07-24
公開日2014-11-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
6O8Q
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BU of 6o8q by Molmil
HUaa 19bp SYM DNA pH 4.5
分子名称: DNA (57-MER), DNA-binding protein HU-alpha
著者Remesh, S.G, Hammel, M.
登録日2019-03-11
公開日2020-03-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.216 Å)
主引用文献Nucleoid remodeling during environmental adaptation is regulated by HU-dependent DNA bundling.
Nat Commun, 11, 2020
6WYE
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BU of 6wye by Molmil
Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE)
分子名称: (2S)-2-hydroxybutanedioic acid, SODIUM ION, Serine acetyltransferase
著者Hicks, J.L, Oldham, K.E, Summers, E.L, Prentice, E.J.
登録日2020-05-12
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
6OBM
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BU of 6obm by Molmil
Ricin A chain bound to VHH antibody V6A7
分子名称: CHLORIDE ION, Ricin A chain, VHH antibody V6A7
著者Rudolph, M.J.
登録日2019-03-21
公開日2020-04-01
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
5KLN
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BU of 5kln by Molmil
Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+
分子名称: 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
著者Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
登録日2016-06-24
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
5KLK
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BU of 5klk by Molmil
Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde
分子名称: (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
登録日2016-06-24
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
6OCA
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BU of 6oca by Molmil
Ricin A chain bound to VHH antibody V2G10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin A chain, ...
著者Rudolph, M.J.
登録日2019-03-22
公開日2020-04-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
4TV5
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BU of 4tv5 by Molmil
Crystal Structure of Citrate Synthase SbnG
分子名称: 2-dehydro-3-deoxyglucarate aldolase, CALCIUM ION
著者Kobylarz, M.J, Grigg, J.C, Murphy, M.E.P.
登録日2014-06-25
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献SbnG, a Citrate Synthase in Staphylococcus aureus: A NEW FOLD ON AN OLD ENZYME.
J.Biol.Chem., 289, 2014
6B83
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BU of 6b83 by Molmil
Crystal structure of Myotoxin II from Bothrops moojeni complexed to Caproic acid
分子名称: Basic phospholipase A2 homolog 2, HEXANOIC ACID, SULFATE ION
著者Salvador, G.H.M, dos Santos, J.I, Fontes, M.R.M.
登録日2017-10-05
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural evidence for a fatty acid-independent myotoxic mechanism for a phospholipase A2-like toxin.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
5L31
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BU of 5l31 by Molmil
Crystal structure of an engineered metal-free RIDC1 variant containing five disulfide bonds.
分子名称: HEME C, SODIUM ION, Soluble cytochrome b562
著者Tezcan, F.A, Churchfield, L.A.
登録日2016-08-02
公開日2016-11-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds.
J.Am.Chem.Soc., 138, 2016
6BBZ
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BU of 6bbz by Molmil
Room temperature neutron/X-ray structure of sisomicin bound AAC-VIa
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, MAGNESIUM ION
著者Cuneo, M.J, Kumar, P.
登録日2017-10-20
公開日2018-02-28
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
主引用文献A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC4
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Cryo X-ray structure of acetyl coenzyme A bound AAC-VIa
分子名称: AAC 3-VI protein, ACETYL COENZYME *A
著者Cuneo, M.J, Kumar, P, Serpersu, E.H.
登録日2017-10-20
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
4RWN
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BU of 4rwn by Molmil
Crystal structure of the pre-reactive state of porcine OAS1
分子名称: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015

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