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5L9I
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BU of 5l9i by Molmil
Crystal structure of the periplasmic binding protein MotA in complex with DFG from A. tumefaciens B6
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Marty, L, Morera, S.
登録日2016-06-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
2AXH
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BU of 2axh by Molmil
Crystal structures of T cell receptor beta chains related to rheumatoid arthritis
分子名称: T cell receptor beta chain
著者Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y.
登録日2005-09-05
公開日2005-09-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis.
Protein Sci., 14, 2005
5KKZ
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BU of 5kkz by Molmil
Rhodobacter sphaeroides bc1 with famoxadone
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, ASCORBIC ACID, Cytochrome b, ...
著者Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A.
登録日2016-06-23
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III.
J.Biol.Chem., 291, 2016
2B34
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BU of 2b34 by Molmil
Structure of MAR1 Ribonuclease from Caenorhabditis elegans
分子名称: MAR1 Ribonuclease
著者Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-09-19
公開日2005-09-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Structure of MAR1 Ribonuclease from Caenorhabditis elegans
To be Published
5L35
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BU of 5l35 by Molmil
Cryo-EM structure of bacteriophage Sf6 at 2.9 Angstrom resolution
分子名称: CHLORIDE ION, Gene 5 protein
著者Zhao, H, Tang, L.
登録日2016-08-03
公開日2017-03-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure of a headful DNA-packaging bacterial virus at 2.9 angstrom resolution by electron cryo-microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KPG
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BU of 5kpg by Molmil
Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-04
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
2ATQ
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BU of 2atq by Molmil
RB69 single-stranded DNA binding protein-DNA polymerase fusion
分子名称: DNA polymerase, GUANOSINE-5'-DIPHOSPHATE, ZINC ION, ...
著者Sun, S, Geng, L, Shamoo, Y.
登録日2005-08-25
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and enzymatic properties of a chimeric bacteriophage RB69 DNA polymerase and single-stranded DNA binding protein with increased processivity.
Proteins, 65, 2006
2AGX
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BU of 2agx by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form
分子名称: 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase
著者Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
登録日2005-07-27
公開日2006-04-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
5KSC
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BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1
著者Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-07-08
公開日2016-11-09
最終更新日2019-12-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
2B2D
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BU of 2b2d by Molmil
RNA stemloop operator from bacteriophage QBETA complexed with an N87S,E89K mutant MS2 capsid
分子名称: 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP*AP*AP*GP*AP*CP*AP*GP*CP*AP*U)-3', Coat protein
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-09-19
公開日2006-05-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
5KV8
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BU of 5kv8 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
分子名称: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
著者Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
登録日2016-07-13
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
2B3T
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BU of 2b3t by Molmil
Structure of complex between E. coli translation termination factor RF1 and the PrmC methyltransferase
分子名称: Peptide chain release factor 1, Protein methyltransferase hemK, S-ADENOSYL-L-HOMOCYSTEINE
著者Graille, M, Heurgue-Hamard, V, Champ, S, Mora, L, Scrima, N, Ulryck, N, van Tilbeurgh, H, Buckingham, R.H.
登録日2005-09-21
公開日2006-01-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis for bacterial class I release factor methylation by PrmC
Mol.Cell, 20, 2005
5KWL
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BU of 5kwl by Molmil
expanded poliovirus in complex with VHH 10E
分子名称: VHH 10E, VP1, VP2, ...
著者Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M.
登録日2016-07-18
公開日2016-11-02
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State.
J. Virol., 91, 2017
2AHB
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BU of 2ahb by Molmil
X-ray crystal structure of R46A,R161A mutant of Mycobacterium tuberculosis FabH
分子名称: Beta- ketoacyl-ACP synthase III
著者Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S.
登録日2005-07-27
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Mechanism of the Mycobacterium tuberculosis {beta}-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: FACTORS INFLUENCING CATALYSIS AND SUBSTRATE SPECIFICITY
J.Biol.Chem., 280, 2005
5KYD
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BU of 5kyd by Molmil
Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
2B6E
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BU of 2b6e by Molmil
X-Ray Crystal Structure of Protein HI1161 from Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR63.
分子名称: ACETIC ACID, Hypothetical UPF0152 protein HI1161
著者Kuzin, A.P, Benach, J, Chen, Y, Acton, T, Xiao, R, Conover, K, Ma, L.-C, Kellie, R, Cunningham, K.E, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-10-01
公開日2005-10-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-Ray structure of the different crystal form of the hypothetical UPF0152 protein HI1161: NESG target IR63
TO BE PUBLISHED
2B7D
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BU of 2b7d by Molmil
Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model
分子名称: (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor
著者Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R.
登録日2005-10-04
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
2AHR
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BU of 2ahr by Molmil
Crystal Structures of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus pyogenes
分子名称: FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Nocek, B, Lezondra, L, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-07-28
公開日2005-09-13
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes
J.Mol.Biol., 354, 2005
5L1V
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BU of 5l1v by Molmil
X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
2AM9
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BU of 2am9 by Molmil
Crystal structure of human androgen receptor ligand binding domain in complex with testosterone
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Androgen receptor, GLYCEROL, ...
著者Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
登録日2005-08-09
公開日2006-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
2AOE
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BU of 2aoe by Molmil
crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2
分子名称: ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
登録日2005-08-12
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AGW
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BU of 2agw by Molmil
Crystal structure of tryptamine-reduced aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis in complex with tryptamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, Aromatic amine dehydrogenase
著者Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
登録日2005-07-27
公開日2006-04-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
5L4N
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BU of 5l4n by Molmil
Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1
分子名称: (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-26
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
2AQF
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BU of 2aqf by Molmil
Structural and functional analysis of ADA2 alpha swirm domain
分子名称: transcriptional adaptor 2, Ada2 alpha
著者Qian, C, Zhang, Q, Zhou, M.-M, Zeng, L.
登録日2005-08-17
公開日2006-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and chromosomal DNA binding of the SWIRM domain.
Nat.Struct.Mol.Biol., 12, 2005
7CFM
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BU of 7cfm by Molmil
Cryo-EM structure of the P395-bound GPBAR-Gs complex
分子名称: 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
著者Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
登録日2020-06-27
公開日2020-09-09
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020

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