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6F0T
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BU of 6f0t by Molmil
Crystal structure of Pizza6-SFW
分子名称: GLYCEROL, Pizza6-SFW
著者Noguchi, H, De Zitter, E, Van Meervelt, L, Voet, A.R.D.
登録日2017-11-20
公開日2018-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Design of tryptophan-containing mutants of the symmetrical Pizza protein for biophysical studies.
Biochem. Biophys. Res. Commun., 497, 2018
6PR2
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BU of 6pr2 by Molmil
R261A/S128A S. typhimurium siroheme synthase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
4XU3
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Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose
分子名称: Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.242677 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
7SJP
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BU of 7sjp by Molmil
anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide
分子名称: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
2L7H
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BU of 2l7h by Molmil
The solution structure of the HAMP domain of the hypothetical transmembrane receptor Af1503
分子名称: Uncharacterized protein
著者Coles, M, Hulko, M, Martin, J, Lupas, A.N.
登録日2010-12-09
公開日2011-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Mechanisms of HAMP-Mediated Signaling in Transmembrane Receptors.
Structure, 19, 2011
6OZ5
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BU of 6oz5 by Molmil
Escherichia coli tRNA synthetase in complex with compound 3
分子名称: 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
7RUH
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BU of 7ruh by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
分子名称: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2021-08-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
To Be Published
6PQ2
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BU of 6pq2 by Molmil
Structural Basis for Client Recognition and Activity of Hsp40 Chaperones
分子名称: Alkaline phosphatase,Chaperone DnaJ domain-containing protein fusion
著者Jiang, Y, Rossi, P, Kalodimos, C.G.
登録日2019-07-08
公開日2019-09-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for client recognition and activity of Hsp40 chaperones.
Science, 365, 2019
6F4Z
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2'F-araG modified quadruplex with flipped G-tract and central tetrad
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*GP*(GFL)P*GP*GP*AP*CP*GP*GP*G)-3')
著者Dickerhoff, J, Weisz, K.
登録日2017-11-30
公開日2018-04-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Fluorine-Mediated Editing of a G-Quadruplex Folding Pathway.
Chembiochem, 19, 2018
6P06
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BU of 6p06 by Molmil
Ternary structure of the E52D mutant of ANT-4 with Neomycin and AMPCPP
分子名称: CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Kanamycin nucleotidyltransferase, ...
著者Selvaraj, B, Cuneo, M.J.
登録日2019-05-16
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献"Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 10, 2020
6F58
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Crystal structure of human Brachyury (T) in complex with DNA
分子名称: Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION
著者Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-12-01
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structure of human Brachyury (T) in complex with DNA
To Be Published
6FB0
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BU of 6fb0 by Molmil
Crystal Structure of a Tailored I-CreI Homing Endonuclease Protein (3115 variant) in complex with its target DNA (Haemoglobin beta subunit gene) in the presence of Calcium
分子名称: ACETATE ION, CALCIUM ION, DNA (5'-D(*TP*CP*AP*GP*AP*CP*TP*TP*CP*TP*CP*CP*AP*CP*AP*GP*GP*AP*GP*TP*CP*AP*GP*A)-3'), ...
著者Molina, R, Prieto, J.
登録日2017-12-18
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Understanding the indirect DNA read-out specificity of I-CreI Meganuclease.
Sci Rep, 8, 2018
6P5X
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BU of 6p5x by Molmil
Sirohydrochlorin-bound S. typhimurium siroheme synthase
分子名称: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-05-31
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
7RUI
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BU of 7rui by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
分子名称: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2021-08-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
To Be Published
7SJM
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BU of 7sjm by Molmil
anti-HtrA1 Fab15H6.v4
分子名称: GLYCEROL, Heavy Chain, Light Chain, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
6P6I
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BU of 6p6i by Molmil
Structure of YbtPQ importer
分子名称: ABC transporter protein, inner membrane ABC-transporter
著者Wang, Z, Hu, W, Zheng, H.
登録日2019-06-04
公開日2020-03-04
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Pathogenic siderophore ABC importer YbtPQ adopts a surprising fold of exporter.
Sci Adv, 6, 2020
6FBU
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BU of 6fbu by Molmil
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate
分子名称: ACETATE ION, DNA (5'-D(P*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3'), DNA (5'-D(P*GP*GP*CP*TP*TP*CP*AP*TP*CP*CP*TP*G)-3'), ...
著者Pomyalov, S, Lansky, S, Golan, G, Zharkov, D.O, Grollman, A.P, Shoham, G.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate
To Be Published
6P6X
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BU of 6p6x by Molmil
Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein
著者Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A.
登録日2019-06-04
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel.
Cell, 178, 2019
6P7F
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BU of 6p7f by Molmil
Human ABCC6 NBD2 R1459D mutant in Apo state
分子名称: Multidrug resistance-associated protein 6, SULFATE ION
著者Zheng, A, Thibodeau, P.H.
登録日2019-06-05
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85004 Å)
主引用文献Structures of human ABCC6 NBD1 and NBD2
To Be Published
4XTV
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BU of 4xtv by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
分子名称: Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45000839 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU1
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BU of 4xu1 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
分子名称: 1,2-ETHANEDIOL, Bifunctional ligase/repressor BirA, DIMETHYL SULFOXIDE, ...
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.70001328 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
6PE5
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BU of 6pe5 by Molmil
Yeast Vo motor in complex with 2 VopQ molecules
分子名称: Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ...
著者Peng, W, Li, Y, Tomchick, D.R, Orth, K.
登録日2019-06-20
公開日2020-05-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
6PF9
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BU of 6pf9 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid.
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
4XUH
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BU of 4xuh by Molmil
PPARgamma ligand binding domain in complex with sulindac sulfide
分子名称: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Polikaporv, I, Webb, P.
登録日2015-01-25
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
2L51
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Solution structure of calcium bound S100A16
分子名称: CALCIUM ION, Protein S100-A16
著者Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G.
登録日2010-10-22
公開日2010-11-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011

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