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6D6Z
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BU of 6d6z by Molmil
Structure of the malate racemase apoprotein from Thermoanaerobacterium thermosaccharolyticum
分子名称: Malate racemase Mar2
著者Fellner, M, Hausinger, R.P, Hu, J.
登録日2018-04-23
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Uncovering a superfamily of nickel-dependent hydroxyacid racemases and epimerases.
Sci Rep, 10, 2020
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
分子名称: Beta-lactamase
著者Kemp, M, Nichols, D, Chen, Y.
登録日2018-04-24
公開日2019-07-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6QU8
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BU of 6qu8 by Molmil
Adenovirus Serotype 26 (Ad26) in complex with sialic acid, pH8.0
分子名称: 1,2-ETHANEDIOL, Fiber, N-acetyl-alpha-neuraminic acid, ...
著者Baker, A.T, Rizkallah, P.J, Parker, A.L, Mundy, R.M.
登録日2019-02-26
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
6QUB
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BU of 6qub by Molmil
Truncated beta-galactosidase III from Bifidobacterium bifidum in complex with galactose
分子名称: Beta-galactosidase, CALCIUM ION, beta-D-galactopyranose
著者Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M.
登録日2019-02-27
公開日2020-03-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Truncated beta-galactosidase III from Bifidobacterium bifidum
To Be Published
6D8B
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The crystal structure of hemagglutinin from A/Hong Kong/125/2017 H7N9 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Yang, H, Stevens, J.
登録日2018-04-26
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018
6DK2
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BU of 6dk2 by Molmil
Bacteroidetes AC2a SusD-like
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Koropatkin, N.M.
登録日2018-05-28
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献To Be Published
To Be Published
2G2Q
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BU of 2g2q by Molmil
The crystal structure of G4, the poxviral disulfide oxidoreductase essential for cytoplasmic disulfide bond formation
分子名称: Glutaredoxin-2, SULFATE ION
著者Su, H.P, Lin, D.Y, Garboczi, D.N.
登録日2006-02-16
公開日2006-08-01
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of G4, the poxvirus disulfide oxidoreductase essential for virus maturation and infectivity.
J.Virol., 80, 2006
6QVH
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BU of 6qvh by Molmil
Streptomyces lividans Ccsp mutant - H113A
分子名称: COPPER (I) ION, cytosolic copper storage protein
著者Straw, M.L, Hough, M.A.
登録日2019-03-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans.
Chemistry, 25, 2019
6DLG
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BU of 6dlg by Molmil
Crystal structure of a SHIP1 surface entropy reduction mutant
分子名称: ISOPROPYL ALCOHOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Gardill, B.R, Cheung, S.T, Mui, A.L, Van Petegem, F.
登録日2018-06-01
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Interleukin-10 and Small Molecule SHIP1 Allosteric Regulators Trigger Anti-Inflammatory Effects Through SHIP1/STAT3 Complexes
Biorxiv, 2020
6DAZ
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BU of 6daz by Molmil
X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate
分子名称: (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2018-05-02
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
分子名称: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6QQV
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BU of 6qqv by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.712 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
5D1M
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BU of 5d1m by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7 (P199A)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
著者Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
登録日2015-08-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
6QR5
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BU of 6qr5 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QR9
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BU of 6qr9 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
3HEN
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BU of 3hen by Molmil
Ferric Horse Heart Myoglobin; H64V/V67R Mutant
分子名称: Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Yi, J, Thomas, L.M, Richter-Addo, G.B.
登録日2009-05-09
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
6QON
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BU of 6qon by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 17 (2H-1,3-Benzoxazine-2,4(3H)-dione)
分子名称: 1,3-benzoxazine-2,4-dione, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOV
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BU of 6qov by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 25 (6-Phenyl-3-pyridinyl)methylamine)
分子名称: (6-phenylpyridin-3-yl)methanamine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QP3
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BU of 6qp3 by Molmil
Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168)
分子名称: ACETATE ION, Cystathionine beta-lyase PatB, PYRIDOXAL-5'-PHOSPHATE
著者Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
6QPD
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Engineered beta-lactoglobulin: variant I56F
分子名称: Beta-lactoglobulin, GLYCEROL, SULFATE ION
著者Loch, J.I, Kaczor, K, Leiwnski, K.
登録日2019-02-13
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
6QPF
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BU of 6qpf by Molmil
Influenza A virus Polymerase Heterotrimer A/duck/Fujian/01/2002(H5N1)
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Fan, H.T, Keown, J.R, Fodor, E, Grimes, J.M.
登録日2019-02-13
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.634 Å)
主引用文献Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6QQR
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Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 1~{H}-indol-5-ylboronic acid, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QQZ
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BU of 6qqz by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QR7
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BU of 6qr7 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
2G5G
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Cofacial heme binding to ChaN of Campylobacter jejuni
分子名称: PROTOPORPHYRIN IX CONTAINING FE, putative lipoprotein
著者Chan, A.C, Murphy, M.E.
登録日2006-02-22
公開日2006-10-03
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cofacial Heme Binding is Linked to Dimerization by a Bacterial Heme Transport Protein.
J.Mol.Biol., 362, 2006

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