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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
Descriptor: 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, ...
Authors:Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2021-06-14
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ...
Authors:Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2021-06-14
Release date:2022-01-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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, ...
Authors:Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2021-06-14
Release date:2022-03-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 3-methylmercaptopropionate-CoA (MMPA-CoA), Enoyl-CoA hydratase/isomerase family protein
Authors:Tan, D, Tong, L.
Deposit date:2013-01-29
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*TP*AP*AP*TP*G)-3')
Authors:Schmitz, U, James, T.L.
Deposit date:1992-04-15
Release date:1993-04-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: MAGNESIUM ION, S-ADENOSYLMETHIONINE, YitJ S box/SAM-I riboswitch
Authors:Lu, C.
Deposit date:2013-05-15
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.02 Å)
Cite: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
Descriptor: MERCURY (II) ION, Probable tRNA sulfurtransferase, RNA (39-MER)
Authors:Neumann, P, Ficner, R, Lakomek, K.
Deposit date:2013-05-16
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
Descriptor: Enoyl-CoA hydratase/isomerase family protein, methylthioacryloyl-CoA
Authors:Tan, D, Tong, L.
Deposit date:2013-01-29
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 4kr7 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex with bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable tRNA sulfurtransferase, ...
Authors:Neumann, P, Ficner, R, Lakomek, K.
Deposit date:2013-05-16
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.421 Å)
Cite: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
Descriptor: Enoyl-CoA hydratase/isomerase family protein
Authors:Tan, D, Tong, L.
Deposit date:2013-01-29
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.504 Å)
Cite: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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BU of 4kr9 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex at 3.5 Angstrom resolution
Descriptor: Probable tRNA sulfurtransferase, RNA (39-MER)
Authors:Neumann, P, Ficner, R, Lakomek, K.
Deposit date:2013-05-16
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, H, Li, H.
Deposit date:2021-08-30
Release date:2022-03-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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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BU of 7s06 by Molmil
Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
Descriptor: 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
Authors:Li, H, Li, H.
Deposit date:2021-08-30
Release date:2022-03-30
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-06-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ACETATE ION, LEUCINE, Sorting nexin-25, ...
Authors:Collins, B.M, Paul, B, Weeratunga, S.
Deposit date:2021-11-07
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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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BU of 7sr1 by Molmil
Crystal structure of the human SNX25 regulator of G-protein signalling (RGS) domain
Descriptor: Sorting nexin-25
Authors:Collins, B.M, Paul, B, Weeratunga, S.
Deposit date:2021-11-07
Release date:2021-11-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Internalin B, POTASSIUM ION
Authors:Geerds, C, Niemann, H.H.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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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BU of 7pv9 by Molmil
Listeria monocytogene InlB (internalin B) residues 36-392 (internalin domain and B-repeat)
Descriptor: Internalin B
Authors:Geerds, C, Niemann, H.H.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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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BU of 7ssb by Molmil
Co-structure of PKG1 regulatory domain with compound 33
Descriptor: 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid, cGMP-dependent protein kinase 1
Authors:Fischmann, T.O.
Deposit date:2021-11-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha.
J.Med.Chem., 65, 2022
8FW0
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BU of 8fw0 by Molmil
MtrR from Neisseria gonorrhoeae bound to beta-Estradiol
Descriptor: ESTRADIOL, GLYCEROL, HTH-type transcriptional regulator MtrR, ...
Authors:Hooks, G.H, Brennan, R.G.
Deposit date:2023-01-20
Release date:2024-01-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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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BU of 8fw3 by Molmil
MtrR from Neisseria gonorrhoeae bound to Testosterone
Descriptor: HTH-type transcriptional regulator MtrR, PHOSPHATE ION, TESTOSTERONE
Authors:Hooks, G.H, Brennan, R.G.
Deposit date:2023-01-20
Release date:2024-01-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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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BU of 8fw8 by Molmil
MtrR from Neisseria gonorrhoeae bound to Progesterone
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, HTH-type transcriptional regulator MtrR, PHOSPHATE ION, ...
Authors:Hooks, G.H, Brennan, R.G.
Deposit date:2023-01-20
Release date:2024-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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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BU of 8gnj by Molmil
Human SARM1 bounded with NMN and Nanobody-C6, Conformation 2
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody-C6
Authors:Cai, Y, Zhang, H.
Deposit date:2022-08-24
Release date:2023-01-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Nat Commun, 13, 2022
8GNI
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BU of 8gni by Molmil
Human SARM1 bounded with NMN and Nanobody-C6, Conformation 1
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody C6
Authors:Cai, Y, Zhang, H.
Deposit date:2022-08-24
Release date:2023-01-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Nat Commun, 13, 2022

238582

数据于2025-07-09公开中

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