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2IAO
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BU of 2iao by Molmil
Crystal structure of squid ganglion DFPase E37Q mutant
Descriptor: CALCIUM ION, DIISOPROPYLFLUOROPHOSPHATASE
Authors:Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H.
Deposit date:2006-09-08
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
2IAV
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BU of 2iav by Molmil
Crystal structure of squid ganglion DFPase H287A mutant
Descriptor: CALCIUM ION, Diisopropylfluorophosphatase
Authors:Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H.
Deposit date:2006-09-08
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
4UYF
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BU of 4uyf by Molmil
N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
Descriptor: 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Gosmini, R.
Deposit date:2014-08-31
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
4UW7
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BU of 4uw7 by Molmil
Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber without its intra-molecular chaperone domain
Descriptor: GLYCEROL, L-SHAPED TAIL FIBER PROTEIN
Authors:Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J.
Deposit date:2014-08-08
Release date:2015-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
2IAT
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BU of 2iat by Molmil
Crystal structure of squid ganglion DFPase W244L mutant
Descriptor: CALCIUM ION, Diisopropylfluorophosphatase
Authors:Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H.
Deposit date:2006-09-08
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
4WQB
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BU of 4wqb by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak
Descriptor: DI(HYDROXYETHYL)ETHER, HEME C, IODIDE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5013 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
8HT7
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BU of 8ht7 by Molmil
The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), GLN-ALA-GLN-ALA-THR-ILE-SER-PHE-PRO-LYS-ARG-LYS-LEU-SER-TRP
Authors:Liu, C, Zhu, G, Geng, Y, Xu, N.
Deposit date:2022-12-20
Release date:2023-12-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex.
Int.J.Biol.Macromol., 260, 2024
4WQ7
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BU of 4wq7 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - "as isolated" form
Descriptor: HEME C, IODIDE ION, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
2IWA
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BU of 2iwa by Molmil
Unbound glutaminyl cyclotransferase from Carica papaya.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLUTAMINE CYCLOTRANSFERASE, ...
Authors:Guevara, T, Mallorqui-Fernandez, N, Garcia-Castellanos, R, Petersen, G.E, Lauritzen, C, Pedersen, J, Arnau, J, Gomis-Ruth, F.X, Sola, M.
Deposit date:2006-06-27
Release date:2006-07-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Papaya Glutamine Cyclotransferase Shows a Singular Five-Fold Beta-Propeller Architecture that Suggests a Novel Reaction Mechanism.
Biol.Chem., 387, 2006
6EWF
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BU of 6ewf by Molmil
Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor
Descriptor: Glycylpeptide N-tetradecanoyltransferase, N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, TETRADECANOYL-COA
Authors:Brenk, R, Kehrein, J, Kersten, C.
Deposit date:2017-11-03
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5351733 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
6F26
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BU of 6f26 by Molmil
Crystal structure of human Casein Kinase I delta in complex with compound 31b
Descriptor: (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2017-11-23
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
8I5N
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BU of 8i5n by Molmil
Rat Kir4.1 in complex with PIP2 and Lys05
Descriptor: ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Zhao, C, Guo, J.
Deposit date:2023-01-26
Release date:2024-02-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
2IXH
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BU of 2ixh by Molmil
RmlC P aeruginosa with dTDP-rhamnose
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE
Authors:Dong, C, Naismith, J.H.
Deposit date:2006-07-08
Release date:2006-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:RmlC, a C3' and C5' carbohydrate epimerase, appears to operate via an intermediate with an unusual twist boat conformation.
J. Mol. Biol., 365, 2007
8I5M
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BU of 8i5m by Molmil
Rat Kir4.1 in complex with PIP2
Descriptor: ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Zhao, C, Guo, J.
Deposit date:2023-01-26
Release date:2024-02-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
6EU5
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BU of 6eu5 by Molmil
Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor
Descriptor: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Brenk, R, Kehrein, J, Kersten, C.
Deposit date:2017-10-27
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.496083 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
8I4U
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BU of 8i4u by Molmil
Cryo-EM structure of 5-subunit Smc5/6 hinge region
Descriptor: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
Authors:Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (6.73 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
2IFC
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BU of 2ifc by Molmil
The Structure of the Binary Complex of Oxalateacetate with Citrate Synthase from the Thermophilic Archaeon Thermolasma acidophilum
Descriptor: Citrate Synthase, OXALOACETATE ION
Authors:Lehmann, C.
Deposit date:2006-09-20
Release date:2007-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:To be anounced
To be Published
8I4X
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BU of 8i4x by Molmil
Cryo-EM structure of 5-subunit Smc5/6
Descriptor: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8HQS
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BU of 8hqs by Molmil
Cryo-EM structure of 8-subunit Smc5/6 head region
Descriptor: DNA repair protein KRE29, Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Tong, C, Wang, Z, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2022-12-14
Release date:2024-06-19
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I21
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BU of 8i21 by Molmil
Cryo-EM structure of 6-subunit Smc5/6 arm region
Descriptor: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
Authors:Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
Deposit date:2023-01-13
Release date:2024-06-26
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (6.02 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
2IXL
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BU of 2ixl by Molmil
RmlC S. suis with dTDP-rhamnose
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, NICKEL (II) ION
Authors:Dong, C, Naismith, J.H.
Deposit date:2006-07-08
Release date:2006-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
2IXC
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BU of 2ixc by Molmil
RmlC M. tuberculosis with dTDP-rhamnose
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE RMLC
Authors:Dong, C, Naismith, J.H.
Deposit date:2006-07-07
Release date:2006-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
1UFK
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BU of 1ufk by Molmil
Crystal structure of TT0836
Descriptor: TT0836 protein
Authors:Kaminishi, T, Sakai, H, Takemoto-Hori, C, Terada, T, Nakagawa, N, Maoka, N, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-31
Release date:2003-11-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of TT0836
To be Published
6F1W
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BU of 6f1w by Molmil
Crystal structure of human Casein Kinase I delta in complex with compound 31a
Descriptor: (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2017-11-23
Release date:2019-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
9LNP
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BU of 9lnp by Molmil
the hUNG bound to DNA product embedding uridine ribonucleotide
Descriptor: CALCIUM ION, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*T*(RP5)P*AP*TP*CP*TP*T)-3'), ...
Authors:Liu, Y, Zhou, C, Zhan, X, Fan, C.
Deposit date:2025-01-21
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Uridine Embedded within DNA is Repaired by Uracil DNA Glycosylase via a Mechanism Distinct from That of Ribonuclease H2.
J.Am.Chem.Soc., 147, 2025

238582

数据于2025-07-09公开中

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