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7OV3
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BU of 7ov3 by Molmil
Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate
分子名称: 1,2-ETHANEDIOL, 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Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
7OV2
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BU of 7ov2 by Molmil
Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ...
著者Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
7OV8
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BU of 7ov8 by Molmil
Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-03-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
4IZD
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BU of 4izd by Molmil
Crystal structure of DmdD E121A in complex with MMPA-CoA
分子名称: 3-methylmercaptopropionate-CoA (MMPA-CoA), Enoyl-CoA hydratase/isomerase family protein
著者Tan, D, Tong, L.
登録日2013-01-29
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of DmdD, a Crotonase Superfamily Enzyme That Catalyzes the Hydration and Hydrolysis of Methylthioacryloyl-CoA.
Plos One, 8, 2013
1D70
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BU of 1d70 by Molmil
SOLUTION STRUCTURE OF A DNA OCTAMER CONTAINING THE PRIBNOW BOX VIA RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE CONSTRAINTS DERIVED FROM TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTRAL FITTING
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*TP*AP*AP*TP*G)-3')
著者Schmitz, U, James, T.L.
登録日1992-04-15
公開日1993-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a DNA octamer containing the Pribnow box via restrained molecular dynamics simulation with distance and torsion angle constraints derived from two-dimensional nuclear magnetic resonance spectral fitting.
J.Mol.Biol., 227, 1992
4KQY
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BU of 4kqy by Molmil
Bacillus subtilis yitJ S box/SAM-I riboswitch
分子名称: MAGNESIUM ION, S-ADENOSYLMETHIONINE, YitJ S box/SAM-I riboswitch
著者Lu, C.
登録日2013-05-15
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献SAM recognition and conformational switching mechanism in the Bacillus subtilis yitJ S box/SAM-I riboswitch
J.Mol.Biol., 404, 2010
4KR6
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BU of 4kr6 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex
分子名称: MERCURY (II) ION, Probable tRNA sulfurtransferase, RNA (39-MER)
著者Neumann, P, Ficner, R, Lakomek, K.
登録日2013-05-16
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
4IZC
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BU of 4izc by Molmil
Crystal structure of DmdD E121A in complex with MTA-CoA
分子名称: Enoyl-CoA hydratase/isomerase family protein, methylthioacryloyl-CoA
著者Tan, D, Tong, L.
登録日2013-01-29
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of DmdD, a Crotonase Superfamily Enzyme That Catalyzes the Hydration and Hydrolysis of Methylthioacryloyl-CoA.
Plos One, 8, 2013
4KR7
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Crystal structure of a 4-thiouridine synthetase - RNA complex with bound ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable tRNA sulfurtransferase, ...
著者Neumann, P, Ficner, R, Lakomek, K.
登録日2013-05-16
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.421 Å)
主引用文献Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
4IZB
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BU of 4izb by Molmil
Crystal structure of DmdD, a crotonase superfamily enzyme that catalyzes the hydration and hydrolysis of methylthioacryloyl-CoA
分子名称: Enoyl-CoA hydratase/isomerase family protein
著者Tan, D, Tong, L.
登録日2013-01-29
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Crystal Structure of DmdD, a Crotonase Superfamily Enzyme That Catalyzes the Hydration and Hydrolysis of Methylthioacryloyl-CoA.
Plos One, 8, 2013
4KR9
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Crystal structure of a 4-thiouridine synthetase - RNA complex at 3.5 Angstrom resolution
分子名称: Probable tRNA sulfurtransferase, RNA (39-MER)
著者Neumann, P, Ficner, R, Lakomek, K.
登録日2013-05-16
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
7S05
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BU of 7s05 by Molmil
Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Li, H, Li, H.
登録日2021-08-30
公開日2022-03-30
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
7S06
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Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosamine-1-phosphotransferase subunits alpha/beta
著者Li, H, Li, H.
登録日2021-08-30
公開日2022-03-30
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
7RNG
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BU of 7rng by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITAKD-CHO
分子名称: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-06-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7RNA
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BU of 7rna by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITV(Dab)D-CHO
分子名称: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-06-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7SR2
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BU of 7sr2 by Molmil
Crystal structure of the human SNX25 regulator of G-protein signalling (RGS) domain
分子名称: ACETATE ION, LEUCINE, Sorting nexin-25, ...
著者Collins, B.M, Paul, B, Weeratunga, S.
登録日2021-11-07
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Predictions of the SNX-RGS Proteins Suggest They Belong to a New Class of Lipid Transfer Proteins.
Front Cell Dev Biol, 10, 2022
7SR1
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Crystal structure of the human SNX25 regulator of G-protein signalling (RGS) domain
分子名称: Sorting nexin-25
著者Collins, B.M, Paul, B, Weeratunga, S.
登録日2021-11-07
公開日2021-11-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Predictions of the SNX-RGS Proteins Suggest They Belong to a New Class of Lipid Transfer Proteins.
Front Cell Dev Biol, 10, 2022
7PV8
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BU of 7pv8 by Molmil
InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
分子名称: 1,2-ETHANEDIOL, Internalin B, POTASSIUM ION
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7PV9
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Listeria monocytogene InlB (internalin B) residues 36-392 (internalin domain and B-repeat)
分子名称: Internalin B
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7SSB
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Co-structure of PKG1 regulatory domain with compound 33
分子名称: 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid, cGMP-dependent protein kinase 1
著者Fischmann, T.O.
登録日2021-11-10
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha.
J.Med.Chem., 65, 2022
8FW0
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MtrR from Neisseria gonorrhoeae bound to beta-Estradiol
分子名称: ESTRADIOL, GLYCEROL, HTH-type transcriptional regulator MtrR, ...
著者Hooks, G.H, Brennan, R.G.
登録日2023-01-20
公開日2024-01-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
8FW3
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MtrR from Neisseria gonorrhoeae bound to Testosterone
分子名称: HTH-type transcriptional regulator MtrR, PHOSPHATE ION, TESTOSTERONE
著者Hooks, G.H, Brennan, R.G.
登録日2023-01-20
公開日2024-01-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
8FW8
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MtrR from Neisseria gonorrhoeae bound to Progesterone
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, HTH-type transcriptional regulator MtrR, PHOSPHATE ION, ...
著者Hooks, G.H, Brennan, R.G.
登録日2023-01-20
公開日2024-01-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
8GNJ
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Human SARM1 bounded with NMN and Nanobody-C6, Conformation 2
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody-C6
著者Cai, Y, Zhang, H.
登録日2022-08-24
公開日2023-01-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Nat Commun, 13, 2022
8GNI
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Human SARM1 bounded with NMN and Nanobody-C6, Conformation 1
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody C6
著者Cai, Y, Zhang, H.
登録日2022-08-24
公開日2023-01-18
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Nat Commun, 13, 2022

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