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7E81
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BU of 7e81 by Molmil
Cryo-EM structure of the flagellar MS ring with FlgB-Dc loop and FliE-helix 1 from Salmonella
分子名称: Flagellar M-ring protein, FlgB-Dc loop, FliE helix 1
著者Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
登録日2021-02-28
公開日2021-04-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E82
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BU of 7e82 by Molmil
Cryo-EM structure of the flagellar rod with partial hook from Salmonella
分子名称: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
著者Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
登録日2021-02-28
公開日2021-04-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
6N80
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BU of 6n80 by Molmil
S. aureus ClpP bound to anti-4a
分子名称: ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide
著者Lee, R.E, Griffith, E.C.
登録日2018-11-28
公開日2019-06-26
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX.
J.Med.Chem., 62, 2019
6WRP
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BU of 6wrp by Molmil
Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Weidle, C, Pancera, M.
登録日2020-04-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Protective antibodies against human parainfluenza virus type 3 infection.
Mabs, 13, 2021
8CC4
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BU of 8cc4 by Molmil
LasB bound to phosphonic acid based inhibitor
分子名称: CALCIUM ION, Elastase, ZINC ION, ...
著者Mueller, R, Sikandar, A.
登録日2023-01-26
公開日2023-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
5J78
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BU of 5j78 by Molmil
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
分子名称: ACETATE ION, Acetaldehyde dehydrogenase (Acetylating), GLYCEROL, ...
著者Crennell, S.J, Extance, J.P, Danson, M.J.
登録日2016-04-06
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016
5TUQ
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BU of 5tuq by Molmil
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-11-07
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
7Y86
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BU of 7y86 by Molmil
CcpS mutant
分子名称: UPF0297 protein A7J08_00425
著者Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
登録日2022-06-22
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
7Y8Z
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CcpS
分子名称: UPF0297 protein A7J08_00425
著者Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
登録日2022-06-24
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
3QGT
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BU of 3qgt by Molmil
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Yuthavong, Y.
登録日2011-01-24
公開日2011-06-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Trypanosomal dihydrofolate reductase reveals natural antifolate resistance
Acs Chem.Biol., 6, 2011
7XMH
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BU of 7xmh by Molmil
Crystal structure of a rice class IIIb chitinase, Oschib2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Putative class III chitinase
著者Jun, T, Tomoya, T, Tomoyuki, N, Takayuki, O.
登録日2022-04-25
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Characterization of two rice GH18 chitinases belonging to family 8 of plant pathogenesis-related proteins.
Plant Sci., 326, 2023
2LVM
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BU of 2lvm by Molmil
Solution structure of human 53BP1 tandem Tudor domains in complex with a histone H4K20me2 peptide
分子名称: Histone H4, Tumor suppressor p53-binding protein 1
著者Cui, G, Botuyan, M, Mer, G.
登録日2012-07-07
公開日2012-12-12
最終更新日2013-04-03
実験手法SOLUTION NMR
主引用文献Acetylation limits 53BP1 association with damaged chromatin to promote homologous recombination.
Nat.Struct.Mol.Biol., 20, 2013
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
著者Leitans, J, Dvinskis, E, Tars, K.
登録日2023-02-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-02-25
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
3DVG
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BU of 3dvg by Molmil
Crystal structure of K63-specific fab Apu.3A8 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
3DVN
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BU of 3dvn by Molmil
Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
7OC7
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BU of 7oc7 by Molmil
LasB, alpha-alkyl-N-aryl mercaptoacetamide
分子名称: (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ...
著者Koehnke, J, Sikandar, A.
登録日2021-04-26
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors.
Angew.Chem.Int.Ed.Engl., 61, 2022
4HGZ
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BU of 4hgz by Molmil
Structure of the CcbJ Methyltransferase from Streptomyces caelestis
分子名称: 1,2-ETHANEDIOL, CcbJ, LITHIUM ION, ...
著者Bauer, J.A, Ondrovicova, G, Kutejova, E, Janata, J.
登録日2012-10-09
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and possible mechanism of the CcbJ methyltransferase from Streptomyces caelestis.
Acta Crystallogr.,Sect.D, 70, 2014
4HGY
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BU of 4hgy by Molmil
Structure of the CcbJ Methyltransferase from Streptomyces caelestis
分子名称: 1,2-ETHANEDIOL, CcbJ, SULFATE ION
著者Bauer, J.A, Ondrovicova, G, Kutejova, E, Janata, J.
登録日2012-10-09
公開日2013-10-30
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and possible mechanism of the CcbJ methyltransferase from Streptomyces caelestis.
Acta Crystallogr.,Sect.D, 70, 2014
1BKJ
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BU of 1bkj by Molmil
NADPH:FMN OXIDOREDUCTASE FROM VIBRIO HARVEYI
分子名称: FLAVIN MONONUCLEOTIDE, NADPH-FLAVIN OXIDOREDUCTASE, PHOSPHATE ION
著者Tanner, J.J, Lei, B, TU, S.-C, Krause, K.L.
登録日1998-07-08
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Flavin reductase P: structure of a dimeric enzyme that reduces flavin.
Biochemistry, 35, 1996
1SH5
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BU of 1sh5 by Molmil
Crystal structure of actin-binding domain of mouse plectin
分子名称: Plectin 1
著者Sevcik, J, Urbanikova, L.
登録日2004-02-25
公開日2004-05-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Actin-binding domain of mouse plectin: crystal structure and binding to vimentin
Eur.J.Biochem., 271, 2004
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, H-189
著者Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-02-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020

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