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5EGL
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BU of 5egl by Molmil
The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus in complex with Butyryl Coenzyme A, Coenzyme A, and Coenzyme A disulfide
分子名称: Acyl CoA Hydrolase, Butyryl Coenzyme A, COENZYME A, ...
著者Khandokar, Y.B, Srivastava, P.S, Forwood, J.K.
登録日2015-10-27
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus
To Be Published
2ZR1
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BU of 2zr1 by Molmil
Agglutinin from Abrus Precatorius
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Agglutinin-1 chain A, Agglutinin-1 chain B
著者Cheng, J, Lu, T.H, Liu, C.L, Lin, J.Y.
登録日2008-08-22
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A biophysical elucidation for less toxicity of Agglutinin than Abrin-a from the Seeds of Abrus Precatorius in consequence of crystal structure
J.Biomed.Sci., 17, 2010
1PXX
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BU of 1pxx by Molmil
CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G.
登録日2003-07-07
公開日2003-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
5ENJ
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BU of 5enj by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening)
分子名称: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
7Q6V
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BU of 7q6v by Molmil
Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14)
分子名称: (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
4G33
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BU of 4g33 by Molmil
Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at 2.0 A (C2221)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, 15S-LIPOXYGENASE, FE (II) ION, ...
著者Carpena, X, Garreta, A, Val-Moraes, S.P, Garcia-Fernandez, Q, Fita, I.
登録日2012-07-13
公開日2013-11-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa.
Faseb J., 27, 2013
2ZUJ
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BU of 2zuj by Molmil
Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant(D297L)
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T.
登録日2008-10-18
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant
to be published
4GTO
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BU of 4gto by Molmil
FTase in complex with BMS analogue 14
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
1PMA
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BU of 1pma by Molmil
PROTEASOME FROM THERMOPLASMA ACIDOPHILUM
分子名称: PROTEASOME
著者Loewe, J, Stock, D, Jap, B, Zwickl, P, Baumeister, W, Huber, R.
登録日1994-12-19
公開日1996-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 A resolution.
Science, 268, 1995
4MB3
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BU of 4mb3 by Molmil
Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella marina
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Chitinase 60, ...
著者Malecki, P.H, Vorgias, C.E, Rypniewski, W.
登録日2013-08-19
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Acta Crystallogr.,Sect.D, 70, 2014
3A26
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BU of 3a26 by Molmil
Crystal structure of P. horikoshii TYW2 in complex with MeSAdo
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, TETRAETHYLENE GLYCOL, Uncharacterized protein PH0793
著者Umitsu, M, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2009-04-28
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Proc.Natl.Acad.Sci.USA, 106, 2009
6WF7
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BU of 6wf7 by Molmil
Methylmalonyl-CoA epimerase in complex with methylmalonyl-CoA and NH4+
分子名称: (S)-Methylmalonyl-Coenzyme A, AMMONIUM ION, METHYLMALONYL-COENZYME A, ...
著者Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
4HME
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BU of 4hme by Molmil
Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ...
著者Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W.
登録日2012-10-18
公開日2013-05-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
4Q8R
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BU of 4q8r by Molmil
Crystal structure of a Phosphate Binding Protein (PBP-1) from Clostridium perfringens
分子名称: PHOSPHATE ION, Phosphate ABC transporter, phosphate-binding protein, ...
著者Gonzalez, D, Richez, M, Bergonzi, C, Chabriere, E, Elias, M.
登録日2014-04-28
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the phosphate-binding protein (PBP-1) of an ABC-type phosphate transporter from Clostridium perfringens.
Sci Rep, 4, 2014
4HNK
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BU of 4hnk by Molmil
Crystal structure of an Enzyme
分子名称: ATP-dependent Clp protease proteolytic subunit, GLYCEROL
著者El Bakkouri, M, Calmettes, C, Wernimont, A.K, Houry, W.A, Hui, R, Structural Genomics Consortium (SGC)
登録日2012-10-19
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013
6WPP
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BU of 6wpp by Molmil
HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X
分子名称: 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine, Mitogen-activated protein kinase kinase kinase 14
著者Shih, A.Y, Hack, M, Mirzadegan, T.
登録日2020-04-27
公開日2020-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Impact of Protein Preparation on Resulting Accuracy of FEP Calculations.
J.Chem.Inf.Model., 60, 2020
2ZWU
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BU of 2zwu by Molmil
Crystal Structure of Camphor Soaked Ferric Cytochrome P450cam
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
著者Sakurai, K, Shimada, H, Hayashi, T, Tsukihara, T.
登録日2008-12-18
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Substrate binding induces structural changes in cytochrome P450cam
Acta Crystallogr.,Sect.F, 65, 2009
4HR7
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BU of 4hr7 by Molmil
Crystal Structure of Biotin Carboxyl Carrier Protein-Biotin Carboxylase Complex from E.coli
分子名称: 1,2-ETHANEDIOL, Biotin carboxyl carrier protein of acetyl-CoA carboxylase, Biotin carboxylase, ...
著者Broussard, T.C, Kobe, M.J, Pakhomova, S, Neau, D.B, Price, A.E, Champion, T.S, Waldrop, G.L.
登録日2012-10-26
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献The three-dimensional structure of the biotin carboxylase-biotin carboxyl carrier protein complex of E. coli acetyl-CoA carboxylase.
Structure, 21, 2013
3A5C
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BU of 3a5c by Molmil
Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase
分子名称: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ...
著者Numoto, N, Hasegawa, Y, Takeda, K, Miki, K.
登録日2009-08-06
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4.51 Å)
主引用文献Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase
Embo Rep., 10, 2009
2ZWT
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BU of 2zwt by Molmil
Crystal Structure of Ferric Cytochrome P450cam
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
著者Sakurai, K, Shimada, H, Hayashi, T, Tsukihara, T.
登録日2008-12-18
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Substrate binding induces structural changes in cytochrome P450cam
Acta Crystallogr.,Sect.F, 65, 2009
5F1A
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BU of 5f1a by Molmil
The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lucido, M.J, Orlando, B.J, Malkowski, M.G.
登録日2015-11-30
公開日2016-03-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
4MKB
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BU of 4mkb by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 14 (N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide)
分子名称: N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
8FLS
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BU of 8fls by Molmil
Human PTH1R in complex with Abaloparatide and Gs
分子名称: Abaloparatide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M.
登録日2022-12-22
公開日2023-04-26
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023
8FLU
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BU of 8flu by Molmil
Human PTH1R in complex with LA-PTH and Gs
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M.
登録日2022-12-22
公開日2023-04-26
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023
8FLR
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Human PTH1R in complex with PTHrP and Gs
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M.
登録日2022-12-22
公開日2023-04-26
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023

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