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1Z4U
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BU of 1z4u by Molmil
hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585
分子名称: (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.
登録日2005-03-16
公開日2005-06-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
2ACL
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BU of 2acl by Molmil
Liver X-Receptor alpha Ligand Binding Domain with SB313987
分子名称: 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J.
登録日2005-07-19
公開日2005-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
6HMK
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BU of 6hmk by Molmil
POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690
分子名称: 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tucker, J.A, Barkauskaite, E.
登録日2018-09-12
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
6IBE
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BU of 6ibe by Molmil
The FERM domain of Human EPB41L3
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-11-29
公開日2018-12-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The FERM domain of Human EPB41L3
To Be Published
6I7N
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BU of 6i7n by Molmil
Trypanothione Reductase from Leismania infantum in complex with TRL156
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Carriles, A.A, Hermoso, J.A.
登録日2018-11-16
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.
Acs Infect Dis., 5, 2019
6I4V
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BU of 6i4v by Molmil
Alpha-1-antitrypsin Queen's (K154N) variant
分子名称: 3-trimethylsilylpropane-1-sulfonic acid, Alpha-1-antitrypsin, GLYCINE
著者Aldobiyan, I, Lomas, D.A, Irving, J.A.
登録日2018-11-12
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural determinants of instability in alpha-1-antitrypsin
To Be Published
6I3Z
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BU of 6i3z by Molmil
Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen
分子名称: Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ...
著者Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A.
登録日2018-11-08
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020
6I4O
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BU of 6i4o by Molmil
Dodecamer DNA containing the synthetic base pair P-Z
分子名称: (DCZ)(DG)(DA)(DT)(DP)(DT)(DA)(DZ)(DA)(DT)(DC)(DG3)
著者Padroni, G, Reichenbach, L.F, Parkinson, J.A, Burley, G.A.
登録日2018-11-10
公開日2019-06-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components.
J.Am.Chem.Soc., 141, 2019
6J7O
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BU of 6j7o by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7T
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BU of 6j7t by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis
分子名称: GLYCEROL, MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7R
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BU of 6j7r by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A co-expressed with TakA from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7N
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BU of 6j7n by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A co-expressed with TakA from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7S
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BU of 6j7s by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) wild type protein from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7P
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BU of 6j7p by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.629 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7Q
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BU of 6j7q by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis
分子名称: CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-26
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6H7X
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BU of 6h7x by Molmil
First X-ray structure of full-length human RuvB-Like 2.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Silva, S, Brito, J.A, Matias, P, Bandeiras, T.
登録日2018-07-31
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018
6HW1
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BU of 6hw1 by Molmil
ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ...
著者Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C.
登録日2018-10-11
公開日2018-10-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6HW2
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BU of 6hw2 by Molmil
The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, CALCIUM ION, ...
著者Tanner, N, Tripathy, D.R, Hirsch, J.A.
登録日2018-10-11
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains
To Be Published
6QDB
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BU of 6qdb by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
分子名称: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
分子名称: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6H75
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BU of 6h75 by Molmil
SiaP A11N in complex with Neu5Ac (RT)
分子名称: N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP
著者Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E.
登録日2018-07-30
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
分子名称: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
著者Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
登録日2018-07-25
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6HN0
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BU of 6hn0 by Molmil
Complex of Ovine Serum Albumin with diclofenac
分子名称: (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ...
著者Talaj, J.A, Bujacz, A, Bujacz, G.
登録日2018-09-13
公開日2019-10-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023

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