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1GL4
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BU of 1gl4 by Molmil
Nidogen-1 G2/Perlecan IG3 Complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ...
著者Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E.
登録日2001-08-23
公開日2001-11-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
3MHF
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BU of 3mhf by Molmil
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes
分子名称: CALCIUM ION, Tagatose 1,6-diphosphate aldolase 2
著者LowKam, C.
登録日2010-04-07
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of a class I tagatose-1,6-bisphosphate aldolase: investigation into an apparent loss of stereospecificity.
J.Biol.Chem., 285, 2010
3FDB
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BU of 3fdb by Molmil
Crystal structure of a putative plp-dependent beta-cystathionase (aecd, dip1736) from corynebacterium diphtheriae at 1.99 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-11-25
公開日2008-12-09
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of putative PLP-dependent beta-cystathionase (NP_940074.1) from CORYNEBACTERIUM DIPHTHERIAE at 1.99 A resolution
To be published
3FGE
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BU of 3fge by Molmil
Crystal structure of putative flavin reductase with split barrel domain (YP_750721.1) from SHEWANELLA FRIGIDIMARINA NCIMB 400 at 1.74 A resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, putative flavin reductase with split barrel domain
著者Joint Center for Structural Genomics (JCSG)
登録日2008-12-05
公開日2008-12-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of putative flavin reductase with split barrel domain (YP_750721.1) from SHEWANELLA FRIGIDIMARINA NCIMB 400 at 1.74 A resolution
To be published
4COE
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BU of 4coe by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-01-28
公開日2014-12-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
3FMB
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Crystal structure of dimeric protein of unknown function and ferredoxin-like fold (YP_212648.1) from Bacteroides fragilis NCTC 9343 at 1.85 A resolution
分子名称: 1,2-ETHANEDIOL, Dimeric protein of unknown function and ferredoxin-like fold, SULFATE ION
著者Joint Center for Structural Genomics (JCSG)
登録日2008-12-19
公開日2009-01-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of dimeric protein of unknown function and ferredoxin-like fold (YP_212648.1) from Bacteroides fragilis NCTC 9343 at 1.85 A resolution
To be published
4CP7
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BU of 4cp7 by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
著者deRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-01-31
公開日2014-12-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
3BXR
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BU of 3bxr by Molmil
Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
分子名称: (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide, Protease, SULFATE ION
著者Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L.
登録日2008-01-14
公開日2008-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
3FSG
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BU of 3fsg by Molmil
Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
分子名称: 1,2-ETHANEDIOL, Alpha/beta superfamily hydrolase, CHLORIDE ION, ...
著者Nocek, B, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-01-09
公開日2009-01-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
To be Published
3MVG
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BU of 3mvg by Molmil
Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
分子名称: GLYCEROL, Ribosome inactivating type 1 protein, SULFATE ION
著者Meyer, A, Weber, W, Singh, T.P, Betzel, C.
登録日2010-05-04
公開日2011-06-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
to be published
4H8W
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BU of 4h8w by Molmil
Crystal structure of non-neutralizing and ADCC-potent antibody N5-i5 in complex with HIV-1 clade A/E gp120 and sCD4.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC AND NON-NEUTRALIZING ANTI-HIV-1 ANTIBODY N5-I5, ...
著者Tolbert, W.D, Acharya, P, Kwong, P.D, Pazgier, M.
登録日2012-09-24
公開日2014-04-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
3C59
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BU of 3c59 by Molmil
Crystal structure of the ligand-bound glucagon-like peptide-1 receptor extracellular domain
分子名称: Exendin-4, Glucagon-like peptide 1 receptor, decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
著者Runge, S.
登録日2008-01-31
公開日2008-02-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Ligand-bound Glucagon-like Peptide-1 Receptor Extracellular Domain
J.Biol.Chem., 283, 2008
2QTQ
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BU of 2qtq by Molmil
Crystal structure of a predicted dna-binding transcriptional regulator (saro_1072) from novosphingobium aromaticivorans dsm at 1.85 A resolution
分子名称: 1,2-ETHANEDIOL, NITRATE ION, Transcriptional regulator, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-08-02
公開日2007-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of predicted DNA-binding transcriptional regulator (YP_496351.1) from Novosphingobium aromaticivorans DSM 12444 at 1.85 A resolution
To be published
2BBB
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BU of 2bbb by Molmil
Structure of HIV1 protease and hh1_173_3a complex.
分子名称: (3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
著者Smith III, A.B, Charnley, A.K, Kuo, L.C, Munshi, S.
登録日2005-10-17
公開日2005-11-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
2V9M
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BU of 2v9m by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT A87M- T109F-E192A)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Grueninger, D, Schulz, G.E.
登録日2007-08-24
公開日2008-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Designed Protein-Protein Association.
Science, 319, 2008
1RV8
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BU of 1rv8 by Molmil
Class II fructose-1,6-bisphosphate aldolase from Thermus aquaticus in complex with cobalt
分子名称: COBALT (II) ION, SODIUM ION, SULFATE ION, ...
著者Izard, T, Sygusch, J.
登録日2003-12-12
公開日2004-01-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Induced Fit Movements and Metal Cofactor Selectivity of Class II Aldolases: STRUCTURE OF THERMUS AQUATICUS FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE.
J.Biol.Chem., 279, 2004
2QEC
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BU of 2qec by Molmil
Crystal structure of histone acetyltransferase HPA2 and related acetyltransferase (NP_600742.1) from Corynebacterium glutamicum ATCC 13032 at 1.90 A resolution
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase HPA2 and related acetyltransferases
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-25
公開日2007-07-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of histone acetyltransferase HPA2 and related acetyltransferase (NP_600742.1) from Corynebacterium glutamicum ATCC 13032 at 1.90 A resolution
To be published
2QNE
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BU of 2qne by Molmil
Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution
分子名称: 1,2-ETHANEDIOL, Putative methyltransferase
著者Joint Center for Structural Genomics (JCSG)
登録日2007-07-18
公開日2007-08-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution
To be published
4BGM
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BU of 4bgm by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride
分子名称: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-27
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
3C5T
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BU of 3c5t by Molmil
Crystal structure of the ligand-bound glucagon-like peptide-1 receptor extracellular domain
分子名称: Exendin-4, Glucagon-like peptide 1 receptor, decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
著者Runge, S.
登録日2008-02-01
公開日2008-02-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Ligand-bound Glucagon-like Peptide-1 Receptor Extracellular Domain
J.Biol.Chem., 283, 2008
4LOY
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BU of 4loy by Molmil
Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ...
著者Stehlin-Gaon, C, Bocskei, Z.
登録日2013-07-14
公開日2014-06-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
1HVH
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BU of 1hvh by Molmil
NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
著者Chang, C.-H.
登録日1997-12-13
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
J.Med.Chem., 41, 1998
1NV7
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Fructose-1,6-Bisphosphatase Complex With AMP, Magnesium, Fructose-6-Phosphate, Phosphate and Thallium (20 mM)
分子名称: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-Bisphosphatase, ...
著者Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
登録日2003-02-02
公開日2003-07-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
4HE2
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Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ...
著者Shi, R, Zhu, D.W, Lin, S.X.
登録日2012-10-03
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
1HWR
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MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
著者Chang, C.-H.
登録日1998-03-20
公開日1999-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular recognition of cyclic urea HIV-1 protease inhibitors.
J.Biol.Chem., 273, 1998

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