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6J64
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BU of 6j64 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A
Descriptor: 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
2CL0
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BU of 2cl0 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GppNHp
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTPASE HRAS, MAGNESIUM ION, ...
Authors:Klink, B.U, Goody, R.S, Scheidig, A.J.
Deposit date:2006-04-25
Release date:2006-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction
Biophys.J., 91, 2006
4AY6
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BU of 4ay6 by Molmil
Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ...
Authors:Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2012-06-18
Release date:2012-10-24
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
2C98
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BU of 2c98 by Molmil
Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PSP OPERON TRANSCRIPTIONAL ACTIVATOR
Authors:Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X.
Deposit date:2005-12-09
Release date:2006-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
2C99
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BU of 2c99 by Molmil
Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PSP OPERON TRANSCRIPTIONAL ACTIVATOR
Authors:Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X.
Deposit date:2005-12-09
Release date:2006-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
2N25
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BU of 2n25 by Molmil
Solution structure of Miz-1 zinc finger 2
Descriptor: ZINC ION, Zinc finger and BTB domain-containing protein 17
Authors:Bedard, M, Lavigne, P.
Deposit date:2015-04-28
Release date:2015-06-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the 13th C2H2 Zinc Finger of Miz-1.
Biochem.Biophys.Res.Commun., 473, 2016
1U37
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BU of 1u37 by Molmil
Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains
Descriptor: amyloid beta A4 precursor protein-binding, family A, member 1
Authors:Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M.
Deposit date:2004-07-21
Release date:2005-07-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
2MXE
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BU of 2mxe by Molmil
Solution structure of the C-terminal domain of MvaT
Descriptor: MvaT
Authors:Ding, P, Xia, B.
Deposit date:2014-12-25
Release date:2015-07-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Novel AT-Rich DNA Recognition Mechanism for Bacterial Xenogeneic Silencer MvaT.
Plos Pathog., 11, 2015
7ICD
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BU of 7icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1990-05-30
Release date:1991-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
4XRY
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BU of 4xry by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex
Descriptor: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, E.F, Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
7D3E
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BU of 7d3e by Molmil
Cryo-EM structure of human DUOX1-DUOXA1 in low-calcium state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Chen, L, Wu, J.X.
Deposit date:2020-09-19
Release date:2020-12-09
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of human dual oxidase 1 complex in low-calcium and high-calcium states.
Nat Commun, 12, 2021
6HGN
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BU of 6hgn by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-II-allo-L55V: an allosterically controlled doxorubicin-binding serpin with an unprecedentedly high ligand release efficacy
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
7KVP
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BU of 7kvp by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Authors:Sevrioukova, I.
Deposit date:2020-11-28
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
6HD0
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BU of 6hd0 by Molmil
Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Plant UBX domain-containing protein 1, Transitional endoplasmic reticulum ATPase
Authors:Heinemann, U, Roske, Y, Banchenko, S.
Deposit date:2018-08-17
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.728 Å)
Cite:Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1.
Structure, 27, 2019
6HDZ
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BU of 6hdz by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-20
Release date:2019-12-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
4XKJ
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BU of 4xkj by Molmil
a Novel D-lactate Dehydrogenase from Sporolactobacillus sp
Descriptor: D-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Bo, Y, Hui, D, Xiang, L.
Deposit date:2015-01-12
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.148 Å)
Cite:a Novel D-lactate Dehydrogenase from Sporolactobacillus sp
To Be Published
7KLO
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BU of 7klo by Molmil
Solution structure of the PHD1 domain of histone demethylase KDM5A
Descriptor: Lysine-specific demethylase 5A, ZINC ION
Authors:Longbotham, E.J, Kelly, M.J.S, Fujimori, D.G.
Deposit date:2020-10-30
Release date:2021-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of Histone H3 Methylation States by the PHD1 Domain of Histone Demethylase KDM5A.
Acs Chem.Biol., 2021
6HHZ
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BU of 6hhz by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, CALCIUM ION, ...
Authors:Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
Deposit date:2018-08-29
Release date:2019-12-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
2BWQ
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BU of 2bwq by Molmil
Crystal Structure of the RIM2 C2A-domain at 1.4 angstrom Resolution
Descriptor: REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, SULFATE ION
Authors:Dai, H, Tomchick, D.R, Garcia, J, Sudhof, T.C, Machius, M, Rizo, J.
Deposit date:2005-07-15
Release date:2005-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structure of the Rim2 C(2)A-Domain at 1.4 A Resolution.
Biochemistry, 44, 2005
7KLR
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BU of 7klr by Molmil
Solution structure of the PHD1 domain of histone demethylase KDM5A in complex with a histone H3(1-10) peptide
Descriptor: Histone H3.1, Lysine-specific demethylase 5A, ZINC ION
Authors:Longbotham, E.J, Kelly, M.J.S, Fujimori, D.G.
Deposit date:2020-10-31
Release date:2021-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of Histone H3 Methylation States by the PHD1 Domain of Histone Demethylase KDM5A.
Acs Chem.Biol., 2021
4XR9
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BU of 4xr9 by Molmil
Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose
Descriptor: CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-01-20
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CalS8 from Micromonospora echinospora
To Be Published
2C2V
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BU of 2c2v by Molmil
Crystal structure of the CHIP-UBC13-UEV1a complex
Descriptor: STIP1 homology and U box-containing protein 1, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 1
Authors:Zhang, M, Roe, S.M, Pearl, L.H.
Deposit date:2005-09-30
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Chaperoned ubiquitylation--crystal structures of the CHIP U box E3 ubiquitin ligase and a CHIP-Ubc13-Uev1a complex.
Mol. Cell, 20, 2005
5MGA
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BU of 5mga by Molmil
Structure of the Cpf1 endonuclease R-loop complex after DNA cleavage
Descriptor: CRISPR-associated endonuclease Cpf1, DNA (26-MER), DNA (5'-D(P*CP*GP*TP*TP*AP*GP*AP*GP*AP*AP*GP*T)-3'), ...
Authors:Montoya, G, Stella, S.
Deposit date:2016-11-21
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Cpf1 endonuclease R-loop complex after target DNA cleavage.
Nature, 546, 2017
1U39
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BU of 1u39 by Molmil
Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains
Descriptor: amyloid beta A4 precursor protein-binding, family A, member 1
Authors:Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M.
Deposit date:2004-07-21
Release date:2005-07-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
6B44
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BU of 6b44 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound target dsDNA
Descriptor: CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017

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