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8I3J
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BU of 8i3j by Molmil
Crystal structure of human inner-arm dynein heavy chain d stalk and microtubule binding domain
分子名称: Dynein axonemal heavy chain 1
著者Ko, S, Yu, J, Toda, A, Tanaka, H, Kurisu, G.
登録日2023-01-17
公開日2023-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structure of the stalk region of axonemal inner-arm dynein-d reveals unique features in the coiled-coil and microtubule-binding domain.
Febs Lett., 597, 2023
7Q1N
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BU of 7q1n by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7PVO
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BU of 7pvo by Molmil
Adenylosuccinate Synthetase from H. pylori in complex with IMP
分子名称: Adenylosuccinate synthetase, INOSINIC ACID, SULFATE ION
著者Narczyk, M, Bzowska, A, Maksymiuk, W.
登録日2021-10-05
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site.
Int.J.Biol.Macromol., 226, 2023
7Q1P
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BU of 7q1p by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
1OBO
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BU of 1obo by Molmil
W57L flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
著者Romero, A, Ramon, A, Fernandez-Cabrera, C, Irun, M.P, Sancho, J.
登録日2003-01-31
公開日2003-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site
J.Biol.Chem., 278, 2003
5IQY
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BU of 5iqy by Molmil
Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method
分子名称: Dehydroascorbate reductase, IODIDE ION
著者Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A.
登録日2016-03-11
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase
Biochem.Biophys.Res.Commun., 473, 2016
3KCI
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BU of 3kci by Molmil
The third RLD domain of HERC2
分子名称: Probable E3 ubiquitin-protein ligase HERC2
著者Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S.
登録日2009-10-21
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Third RLD Domain of Herc2
To be Published
1OBV
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BU of 1obv by Molmil
Y94F flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
著者Romero, A, Ramon, A, Fernandez-Cabrera, C, Irun, M.P, Sancho, J.
登録日2003-01-31
公開日2003-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site
J.Biol.Chem., 278, 2003
8BN6
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BU of 8bn6 by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
著者Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2022-11-12
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
6B48
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BU of 6b48 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF10
分子名称: Anti-CRISPR protein AcrF10, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ...
著者Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
登録日2017-09-25
公開日2017-10-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6BBM
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BU of 6bbm by Molmil
Mechanisms of Opening and Closing of the Bacterial Replicative Helicase: The DnaB Helicase and Lambda P Helicase Loader Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Replication protein P, Replicative DNA helicase
著者Chase, J, Catalano, A, Noble, A.J, Eng, E.T, Olinares, P.D.B, Molloy, K, Pakotiprapha, D, Samuels, M, Chain, B, des Georges, A, Jeruzalmi, D.
登録日2017-10-18
公開日2019-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mechanisms of opening and closing of the bacterial replicative helicase.
Elife, 7, 2018
8BF8
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BU of 8bf8 by Molmil
ISDra2 TnpB in complex with reRNA
分子名称: Deinococcus radiodurans R1 chromosome 1, RNA-guided DNA endonuclease TnpB
著者Sasnauskas, G, Tamulaitiene, G, Carabias, A, Siksnys, V, Montoya, G, Druteika, G, Silanskas, A, Venclovas, C, Karvelis, T, Kazlauskas, D.
登録日2022-10-24
公開日2023-04-12
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
8IJX
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BU of 8ijx by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-18
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-02-28
公開日2023-08-30
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
8IJW
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BU of 8ijw by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-06
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-02-28
公開日2023-08-30
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
3ZVT
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BU of 3zvt by Molmil
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
分子名称: 2,6 DIMETHOXYBENZAMIDOBORONIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ...
著者Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P.
登録日2011-07-27
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
J.Am.Chem.Soc., 133, 2011
8HYI
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BU of 8hyi by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
分子名称: 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
著者Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
登録日2023-01-06
公開日2023-08-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion.
Protein Sci., 32, 2023
3K8U
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BU of 3k8u by Molmil
Crystal Structure of the Peptidase Domain of Streptococcus ComA, a Bi-functional ABC Transporter Involved in Quorum Sensing Pathway
分子名称: Putative ABC transporter, ATP-binding protein ComA
著者Ishii, S, Yano, T, Ebihara, A, Okamoto, A, Manzoku, M, Hayashi, H.
登録日2009-10-14
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the peptidase domain of Streptococcus ComA, a bifunctional ATP-binding cassette transporter involved in the quorum-sensing pathway
J.Biol.Chem., 285, 2010
4R6R
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BU of 4r6r by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
分子名称: 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ...
著者Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
登録日2014-08-26
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
7Q1O
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BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
6B8W
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BU of 6b8w by Molmil
1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae.
分子名称: MANGANESE (II) ION, THIOCYANATE ION, XRE family transcriptional regulator
著者Minasov, G, Wawrzak, Z, Skarina, T, McChesney, C, Grimshaw, S, Sandoval, J, Satchell, K.J.F, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-10-09
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae.
To Be Published
8IJV
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BU of 8ijv by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-02
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-02-28
公開日2023-08-30
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
4R96
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BU of 4r96 by Molmil
Structure of a Llama Glama Fab 48A2 against human cMet
分子名称: Llama glama Fab 48A2 against human cMet H chain, Llama glama Fab 48A2 against human cMet L chain
著者Klarenbeek, A, El Mazouari, K, Desmyter, A, Blanchetot, C, Hultberg, A, Roovers, R.C, Cambillau, C, Spinelli, S, Del-Favero, J, Verrips, T, de Haard, H, Achour, I.
登録日2014-09-03
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Camelid Ig V genes reveal significant human homology not seen in therapeutic target genes, providing for a powerful therapeutic antibody platform.
MAbs, 7, 2015
6AZW
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BU of 6azw by Molmil
IDO1/FXB-001116 crystal structure
分子名称: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A, Lammens, A, Steinbacher, S.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3ZKG
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BU of 3zkg by Molmil
BACE2 MUTANT APO STRUCTURE
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
6MN0
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BU of 6mn0 by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ...
著者Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022

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