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7AJ8
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BU of 7aj8 by Molmil
Structure of DYRK1A in complex with compound 25
Descriptor: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-28
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ7
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BU of 7aj7 by Molmil
Structure of DYRK1A in complex with compound 16
Descriptor: 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-28
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJS
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BU of 7ajs by Molmil
Structure of DYRK1A in complex with compound 33
Descriptor: 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
4R5X
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BU of 4r5x by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
7AJ5
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BU of 7aj5 by Molmil
Structure of DYRK1A in complex with compound 10
Descriptor: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-28
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJM
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BU of 7ajm by Molmil
Structure of DYRK1A in complex with compound 32
Descriptor: DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
3CHV
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BU of 3chv by Molmil
CRYSTAL STRUCTURE OF a prokaryotic domain of unknown function (DUF849) member (SPOA0042) FROM SILICIBACTER POMEROYI DSS-3 AT 1.45 A RESOLUTION
Descriptor: CHLORIDE ION, Prokaryotic domain of unknown function (DUF849) with a TIM barrel fold, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-03-10
Release date:2008-04-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of prokaryotic domain of unknown function (DUF849) with a TIM barrel fold (YP_164873.1) from Silicibacter pomeroyi DSS-3 at 1.45 A resolution
To be published
4R1M
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BU of 4r1m by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-06
Release date:2014-08-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution
To be published
7AJA
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BU of 7aja by Molmil
Structure of DYRK1A in complex with compound 28
Descriptor: 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-28
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
4R8O
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BU of 4r8o by Molmil
Crystal structure of a DUF3836 family protein (BVU_1206) from Bacteroides vulgatus ATCC 8482 at 2.50 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-09-02
Release date:2014-09-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of single-layer beta-sheet proteins evolved from beta-hairpin repeats.
Protein Sci., 28, 2019
3CGG
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BU of 3cgg by Molmil
Crystal structure of TehB-like SAM-dependent methyltransferase (NP_600671.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 2.00 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-03-05
Release date:2008-03-18
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of TehB-like SAM-dependent methyltransferase (NP_600671.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 2.00 A resolution
To be published
3CGX
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BU of 3cgx by Molmil
Crystal structure of putative nucleotide-diphospho-sugar transferase (YP_389115.1) from Desulfovibrio desulfuricans G20 at 1.90 A resolution
Descriptor: IMIDAZOLE, Putative nucleotide-diphospho-sugar transferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-03-06
Release date:2008-03-18
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of putative Nucleotide-diphospho-sugar Transferase (YP_389115.1) from Desulfovibrio desulfuricans G20 at 1.90 A resolution
To be published
3CSW
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BU of 3csw by Molmil
Crystal structure of a putative branched-chain amino acid aminotransferase (TM0831) from Thermotoga maritima at 2.15 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-10
Release date:2008-04-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a Putative Branched-Chain Amino Acid Aminotransferase (TM0831) from Thermotoga maritima at 2.15 A resolution
To be published
3CWR
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BU of 3cwr by Molmil
Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Transcriptional regulator, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-22
Release date:2008-05-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution
To be published
4R1S
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BU of 4r1s by Molmil
Crystal structure of Petunia hydrida cinnamoyl-CoA reductase
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, cinnamoyl CoA reductase
Authors:Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K.
Deposit date:2014-08-07
Release date:2014-10-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
3D02
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BU of 3d02 by Molmil
Crystal structure of periplasmic sugar-binding protein (YP_001338366.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.30 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Putative LACI-type transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-30
Release date:2008-05-27
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of periplasmic sugar-binding protein (YP_001338366.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.30 A resolution
To be published
3D2E
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BU of 3d2e by Molmil
Crystal structure of a complex of Sse1p and Hsp70, Selenomethionine-labeled crystals
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Heat shock 70 kDa protein 1, ...
Authors:Polier, S, Bracher, A.
Deposit date:2008-05-08
Release date:2008-06-17
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the cooperation of Hsp70 and Hsp110 chaperones in protein folding.
Cell(Cambridge,Mass.), 133, 2008
7B2H
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BU of 7b2h by Molmil
Crystal structure of the methyl-coenzyme M reductase from Methanothermobacter Marburgensis derivatized with xenon
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Wagner, T, Lemaire, O.N, Engilberge, S.
Deposit date:2020-11-27
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
3CEB
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BU of 3ceb by Molmil
Crystal structure of a putative 4-amino-4-deoxychorismate lyase (hs_0128) from haemophilus somnus 129pt at 2.40 A resolution
Descriptor: D-aminoacid aminotransferase-like PLP-dependent enzyme, GLYCEROL, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-02-28
Release date:2008-03-18
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of D-aminoacid Aminotransferase-Like PLP-Dependent Enzyme (YP_718332.1) from Haemophilus somnus 129PT at 2.40 A resolution
To be published
3D4O
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BU of 3d4o by Molmil
Crystal structure of dipicolinate synthase subunit A (NP_243269.1) from BACILLUS HALODURANS at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, D(-)-TARTARIC ACID, Dipicolinate synthase subunit A
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-05-14
Release date:2008-07-08
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of dipicolinate synthase subunit A (NP_243269.1) from BACILLUS HALODURANS at 2.10 A resolution
To be published
3CF9
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BU of 3cf9 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ...
Authors:Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H.
Deposit date:2008-03-03
Release date:2008-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
3CEC
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BU of 3cec by Molmil
Crystal structure of a putative antidote protein of plasmid maintenance system (npun_f2943) from nostoc punctiforme pcc 73102 at 1.60 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DI(HYDROXYETHYL)ETHER, Putative antidote protein of plasmid maintenance system
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-02-28
Release date:2008-03-11
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of putative antidote protein of plasmid maintenance system (ZP_00107635.1) from Nostoc punctiforme PCC 73102 at 1.60 A resolution
To be published
7B5W
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BU of 7b5w by Molmil
RCK_C domain of S.agalactiae BusR in ligand-free state
Descriptor: GntR family transcriptional regulator
Authors:Bandera, A.M, Witte, G.
Deposit date:2020-12-07
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
3CU2
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BU of 3cu2 by Molmil
Crystal structure of ribulose-5-phosphate 3-epimerase (YP_718263.1) from Haemophilus somnus 129PT at 1.91 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, NICKEL (II) ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-15
Release date:2008-04-29
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of ribulose-5-phosphate 3-epimerase (YP_718263.1) from Haemophilus somnus 129PT at 1.91 A resolution
To be published
3D00
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BU of 3d00 by Molmil
Crystal structure of a tungsten formylmethanofuran dehydrogenase subunit e (fmde)-like protein (syn_00638) from syntrophus aciditrophicus at 1.90 A resolution
Descriptor: CHLORIDE ION, Tungsten formylmethanofuran dehydrogenase subunit E, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-30
Release date:2008-05-20
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of three members of Pfam PF02663 (FmdE) implicated in microbial methanogenesis reveal a conserved alpha+beta core domain and an auxiliary C-terminal treble-clef zinc finger.
Acta Crystallogr.,Sect.F, 66, 2010

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PDB entries from 2024-08-07

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