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1JFS
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BU of 1jfs by Molmil
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PURF OPERATOR COMPLEX
Descriptor: 5'-D(*TP*AP*CP*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*CP*GP*T)-3', HYPOXANTHINE, PURINE NUCLEOTIDE SYNTHESIS REPRESSOR
Authors:Huffman, J.L, Lu, F, Zalkin, H, Brennan, R.G.
Deposit date:2001-06-21
Release date:2002-02-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Role of residue 147 in the gene regulatory function of the Escherichia coli purine repressor.
Biochemistry, 41, 2002
8HIN
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BU of 8hin by Molmil
Structure of human SGLT2-MAP17 complex with Phlorizin
Descriptor: 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
Authors:Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
Deposit date:2022-11-21
Release date:2023-11-22
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
6KEH
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BU of 6keh by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
2VIK
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BU of 2vik by Molmil
REFINED STRUCTURE OF THE ACTIN-SEVERING DOMAIN VILLIN 14T, DETERMINED BY SOLUTION NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: VILLIN 14T
Authors:Markus, M.A, Matsudaira, P, Wagner, G.
Deposit date:1997-01-16
Release date:1997-04-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Refined structure of villin 14T and a detailed comparison with other actin-severing domains.
Protein Sci., 6, 1997
6KL0
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BU of 6kl0 by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of perdeuterated GFP at pD 7.0
Descriptor: Green fluorescent protein
Authors:Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K.
Deposit date:2019-07-28
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.798 Å)
Cite:X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions
Acta Crystallogr.,Sect.D, 75, 2019
8HGB
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BU of 8hgb by Molmil
Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid
Descriptor: 4-methoxy-3-oxidanyl-benzoic acid, Cytochrome P450, GLYCEROL, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid
To Be Published
6KEJ
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BU of 6kej by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
8HCH
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BU of 8hch by Molmil
Crystal structure of mTREX1-Uridine complex
Descriptor: MAGNESIUM ION, Three-prime repair exonuclease 1, URIDINE
Authors:Hsiao, Y.Y, Huang, K.W, Wu, C.Y.
Deposit date:2022-11-01
Release date:2023-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids.
Nucleic Acids Res., 51, 2023
8HDH
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BU of 8hdh by Molmil
Structure of human SGLT2-MAP17 complex with Canagliflozin
Descriptor: (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
Authors:Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
Deposit date:2022-11-04
Release date:2023-11-08
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
2VL0
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BU of 2vl0 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC)
Descriptor: Cys-loop ligand-gated ion channel
Authors:Hilf, R.J.C, Dutzler, R.
Deposit date:2008-01-07
Release date:2008-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:X-Ray Structure of a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nature, 452, 2008
2VFJ
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BU of 2vfj by Molmil
Structure of the A20 Ovarian Tumour (OTU) domain
Descriptor: MAGNESIUM ION, SULFATE ION, TUMOR NECROSIS FACTOR
Authors:Komander, D, Barford, D.
Deposit date:2007-11-04
Release date:2007-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the A20 Otu Domain and Mechanistic Insights Into Deubiquitination
Biochem.J., 409, 2008
8HGE
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BU of 8hge by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
Descriptor: 12-HYDROXYDODECANOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
To Be Published
6KHD
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BU of 6khd by Molmil
Crystal structure of CLK1 in complex with CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK1
Authors:Lee, J.Y, Yun, J.S, Jin, H, Chang, J.H.
Deposit date:2019-07-15
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for the Selective Inhibition of Cdc2-Like Kinases by CX-4945.
Biomed Res Int, 2019, 2019
6KHS
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BU of 6khs by Molmil
Crystal structure of HEMK2/TRMT112 in complex with SAH and MEQ
Descriptor: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, N5-METHYLGLUTAMINE, ...
Authors:Liao, S, Guo, Q, Zhu, Z.
Deposit date:2019-07-16
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Crystal structure of HEMK2/TRMT112 in complex with SAH and MEQ
To Be Published
8HIG
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BU of 8hig by Molmil
Co-crystal structure of C-terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its cognate promoter DNA
Descriptor: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
Authors:Lin, W, Xu, J.C, Zhang, Y.
Deposit date:2022-11-20
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:Co-crystal structure of C-terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its cognate promoter DNA
To Be Published
8HGD
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BU of 8hgd by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
Descriptor: Cytochrome P450, GLYCEROL, METHANOL, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
To Be Published
6KNW
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BU of 6knw by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
2VAR
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BU of 2var by Molmil
Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate
Descriptor: 2-KETO-3-DEOXYGLUCONATE, 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid, ADENOSINE MONOPHOSPHATE, ...
Authors:Potter, J.A, Theodossis, A, Kerou, M, Lamble, H.J, Bull, S.D, Hough, D.W, Danson, M.J, Taylor, G.L.
Deposit date:2007-09-04
Release date:2007-10-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase.
Acta Crystallogr.,Sect.D, 64, 2008
6KI1
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BU of 6ki1 by Molmil
The transmembrane domain of a cyanobacterium bicarbonate transporter BicA
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BICARBONATE ION, Low affinity sulfate transporter, ...
Authors:Zhang, P, Wang, C.C.
Deposit date:2019-07-17
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
2V0X
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BU of 2v0x by Molmil
The dimerization domain of LAP2alpha
Descriptor: LAMINA-ASSOCIATED POLYPEPTIDE 2 ISOFORMS ALPHA/ZETA
Authors:Bradley, C.M, Jones, S, Huang, Y, Suzuki, Y, Kvaratskhelia, M, Hickman, A.B, Craigie, R, Dyda, F.
Deposit date:2007-05-20
Release date:2007-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Dimerization of Lap2Alpha, a Component of the Nuclear Lamina.
Structure, 15, 2007
6JSS
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BU of 6jss by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99P mutant
Descriptor: FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ...
Authors:Xue, B, Yew, W.S.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
8HMM
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BU of 8hmm by Molmil
Crystal structure of AoRhaA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bac_rhamnosid6H domain-containing protein
Authors:Makabe, K, Koseki, T.
Deposit date:2022-12-05
Release date:2023-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aspergillus oryzae alpha-l-rhamnosidase: Crystal structure and insight into the substrate specificity.
Proteins, 92, 2024
8HOK
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BU of 8hok by Molmil
crystal structure of UGT71AP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2
Authors:Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis .
Acta Pharm Sin B, 14, 2024
6JY1
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BU of 6jy1 by Molmil
Crystal Structure of a Group II pyridoxal dependent decarboxylase, LLP-bound form from Methanocaldococcus jannaschii at 1.72 A
Descriptor: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, SULFATE ION
Authors:Manoj, N, Gayathri, S.C.
Deposit date:2019-04-25
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
6KNM
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BU of 6knm by Molmil
Apelin receptor in complex with single domain antibody
Descriptor: Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION
Authors:Ma, Y.B, Ding, Y, Song, X, Ma, X, Li, X, Zhang, N, Song, Y, Sun, Y, Shen, Y, Zhong, W, Hu, L.A, Ma, Y.L, Zhang, M.Y.
Deposit date:2019-08-06
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-guided discovery of a single-domain antibody agonist against human apelin receptor.
Sci Adv, 6, 2020

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