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2FHI
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BU of 2fhi by Molmil
SUBSTRATE ANALOG (IB2) COMPLEX WITH THE HIS 96 ASN SUBSTITUTION OF THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT
分子名称: FRAGILE HISTIDINE TRIAD PROTEIN, P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE
著者Pace, H.C, Garrison, P.N, Robinson, A.K, Barnes, L.D, Draganescu, A, Rosler, A, Blackburn, G.M, Siprashvili, Z, Croce, C.M, Heubner, K, Brenner, C.
登録日1998-04-01
公開日1998-06-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Genetic, biochemical, and crystallographic characterization of Fhit-substrate complexes as the active signaling form of Fhit.
Proc.Natl.Acad.Sci.USA, 95, 1998
1W5X
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BU of 1w5x by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
1W5V
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BU of 1w5v by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-12-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
2WK0
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BU of 2wk0 by Molmil
Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate.
分子名称: (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, BETA-LACTAMASE, CHLORIDE ION, ...
著者Sauvage, E, Zervosen, A, Dive, G, Herman, R, Kerff, F, Amoroso, A, Fonze, E, Pratt, R.F, Luxen, A, Charlier, P.
登録日2009-06-03
公開日2009-12-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
1K3H
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BU of 1k3h by Molmil
NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii
分子名称: HEME C, cytochrome c-553
著者Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R.
登録日2001-10-03
公開日2001-10-31
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
1K3G
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BU of 1k3g by Molmil
NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii
分子名称: HEME C, cytochrome c-553
著者Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R.
登録日2001-10-03
公開日2001-10-31
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
3ZPU
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BU of 3zpu by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
1HKS
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BU of 1hks by Molmil
SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF DROSOPHILA HEAT SHOCK TRANSCRIPTION FACTOR
分子名称: HEAT-SHOCK TRANSCRIPTION FACTOR
著者Vuister, G.W, Kim, S.-J, Orosz, A, Marquardt, J.L, Wu, C, Bax, A.
登録日1994-07-18
公開日1994-09-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA-binding domain of Drosophila heat shock transcription factor.
Nat.Struct.Biol., 1, 1994
1HKT
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BU of 1hkt by Molmil
SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF DROSOPHILA HEAT SHOCK TRANSCRIPTION FACTOR
分子名称: HEAT-SHOCK TRANSCRIPTION FACTOR
著者Vuister, G.W, Kim, S.-J, Orosz, A, Marquardt, J.L, Wu, C, Bax, A.
登録日1994-07-18
公開日1994-09-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA-binding domain of Drosophila heat shock transcription factor.
Nat.Struct.Biol., 1, 1994
3BIA
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BU of 3bia by Molmil
Tim-4 in complex with sodium potassium tartrate
分子名称: L(+)-TARTARIC ACID, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4
著者Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
登録日2007-11-30
公開日2008-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
3ZPS
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BU of 3zps by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
3ZPT
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BU of 3zpt by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3BI9
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BU of 3bi9 by Molmil
Tim-4
分子名称: ACETATE ION, T-cell immunoglobulin and mucin domain-containing protein 4
著者Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
登録日2007-11-30
公開日2008-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
3BIB
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BU of 3bib by Molmil
Tim-4 in complex with phosphatidylserine
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4
著者Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
登録日2007-11-30
公開日2008-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
1N9C
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BU of 1n9c by Molmil
Structure and dynamics of reduced Bacillus pasteurii cytochrome c: oxidation state dependent properties and implications for electron transfer processes
分子名称: Cytochrome c-553, HEME C
著者Bartalesi, I, Bertini, I, Rosato, A.
登録日2002-11-23
公開日2003-02-04
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structure and dynamics of reduced Bacillus pasteurii cytochrome c: oxidation state dependent properties and implications for electron transfer processes
Biochemistry, 42, 2003
2XPC
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BU of 2xpc by Molmil
Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid
分子名称: (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S.
登録日2010-08-26
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid.
Eur.J.Med.Chem, 46, 2011
3F8Z
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BU of 3f8z by Molmil
Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes
分子名称: 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2008-11-13
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
3F91
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BU of 3f91 by Molmil
Structural Data for Human Active Site Mutant Enzyme Complexes
分子名称: 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2008-11-13
公開日2009-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
8FMA
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BU of 8fma by Molmil
Nodavirus RNA replication proto-crown, detergent-solubliized C11 multimer
分子名称: RNA-directed RNA polymerase
著者Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P.
登録日2022-12-22
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM9
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BU of 8fm9 by Molmil
Nodavirus RNA replication proto-crown, detergent-solubliized C12 multimer
分子名称: RNA-directed RNA polymerase
著者Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P.
登録日2022-12-22
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FMB
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BU of 8fmb by Molmil
Nodavirus RNA replication protein A polymerase domain, local refinement
分子名称: RNA-directed RNA polymerase
著者Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P.
登録日2022-12-22
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching.
Proc.Natl.Acad.Sci.USA, 120, 2023
1OLL
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BU of 1oll by Molmil
Extracellular region of the human receptor NKp46
分子名称: 1,2-ETHANEDIOL, NK RECEPTOR
著者Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Pesce, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D.
登録日2003-08-07
公開日2003-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of the Human Nk Cell Triggering Receptor Nkp46 Ectodomain
Biochem.Biophys.Res.Commun., 309, 2003
3ZIZ
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BU of 3ziz by Molmil
Crystal structure of Podospora anserina GH5 beta-(1,4)-mannanase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 ENDO-BETA-1,4-MANNANASE, GLYCEROL
著者Couturier, M, Roussel, A, Rosengren, A, Leone, P, Stalbrand, H, Berrin, J.G.
登録日2013-01-15
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and Biochemical Analyses of Glycoside Hydrolase Families 5 and 26 Beta-(1,4)-Mannanases from Podospora Anserina Reveal Differences Upon Manno-Oligosaccharides Catalysis.
J.Biol.Chem., 288, 2013
3FS6
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BU of 3fs6 by Molmil
Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes
分子名称: 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2009-01-09
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
6GRZ
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BU of 6grz by Molmil
Crystal structure of the light chain dimer mH6
分子名称: GLYCEROL, mH6
著者Maritan, M, Ricagno, S, Ambrosetti, A, Oberti, L.
登録日2018-06-13
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inherent Biophysical Properties Modulate the Toxicity of Soluble Amyloidogenic Light Chains
J.Mol.Biol., 2020

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