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4AP6
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BU of 4ap6 by Molmil
Crystal structure of human POFUT2 E54A mutant in complex with GDP- fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ...
Authors:Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H.
Deposit date:2012-03-30
Release date:2012-08-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
1M4X
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BU of 1m4x by Molmil
PBCV-1 virus capsid, quasi-atomic model
Descriptor: PBCV-1 virus capsid
Authors:Nandhagopal, N, Simpson, A.A, Gurnon, J.R, Yan, X, Baker, T.S, Graves, M.V, Van Etten, J.L, Rossmann, M.G.
Deposit date:2002-07-05
Release date:2002-12-04
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (28 Å)
Cite:The Structure and Evolution of the Major Capsid Protein of a Large, Lipid containing, DNA virus.
Proc.Natl.Acad.Sci.USA, 99, 2002
3RC2
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BU of 3rc2 by Molmil
Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP; open conformation
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, ...
Authors:Holden, H.M, Kubiak, R.L.
Deposit date:2011-03-30
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
2O93
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BU of 2o93 by Molmil
Crystal structure of NFAT bound to the HIV-1 LTR tandem kappaB enhancer element
Descriptor: actor of activated T-cells, cytoplasmic 2, kappaB enhancer element, ...
Authors:Bates, D.L, Chen, L.
Deposit date:2006-12-13
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of NFAT bound to the HIV-1 LTR tandem kappaB enhancer element
Structure, 16, 2008
1GDV
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BU of 1gdv by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C6 FROM RED ALGA PORPHYRA YEZOENSIS AT 1.57 A RESOLUTION
Descriptor: CYTOCHROME C6, HEME C
Authors:Yamada, S, Park, S.-Y, Shimizu, H, Shiro, Y, Oku, T.
Deposit date:2000-10-06
Release date:2001-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of cytochrome c6 from the red alga Porphyra yezoensis at 1. 57 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
4MHY
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BU of 4mhy by Molmil
Crystal structure of a glutaminyl cyclase from Ixodes scapularis in complex with PBD150
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl cyclase, putative, ...
Authors:Huang, K.F, Hsu, H.L, Wang, A.H.J.
Deposit date:2013-08-30
Release date:2014-03-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding.
Acta Crystallogr.,Sect.D, 70, 2014
1FW4
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BU of 1fw4 by Molmil
CRYSTAL STRUCTURE OF E. COLI FRAGMENT TR2C FROM CALMODULIN TO 1.7 A RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN
Authors:Olsson, L.-L, Sjolin, L.
Deposit date:2000-09-21
Release date:2001-05-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Escherichia coli fragment TR2C from calmodulin to 1.7 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
3S9J
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BU of 3s9j by Molmil
Crystal structure of a member of duf4221 family (BVU_1028) from Bacteroides vulgatus atcc 8482 at 1.75 A resolution
Descriptor: FORMIC ACID, GLYCEROL, Member of DUF4221 family, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-01
Release date:2011-06-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a Member of DUF4221 family (BVU_1028) from Bacteroides vulgatus ATCC 8482 at 1.75 A resolution
To be published
3VZY
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BU of 3vzy by Molmil
Crystal structure of PcrB complexed with G1P from bacillus subtilis subap. subtilis str. 168
Descriptor: CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ...
Authors:Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T.
Deposit date:2012-10-17
Release date:2012-12-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013
2O6C
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BU of 2o6c by Molmil
Structure of selenomethionyl rTp34 from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
Authors:Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
2C5A
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BU of 2c5a by Molmil
GDP-mannose-3', 5' -epimerase (Arabidopsis thaliana),Y174F, with GDP-beta-L-galactose bound in the active site
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GDP-MANNOSE-3', ...
Authors:Major, L.L, Wolucka, B.A, Naismith, J.H.
Deposit date:2005-10-26
Release date:2005-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
2YVL
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BU of 2yvl by Molmil
Crystal structure of tRNA (m1A58) methyltransferase TrmI from Aquifex aeolicus
Descriptor: Hypothetical protein, S-ADENOSYLMETHIONINE
Authors:Yanagisawa, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-13
Release date:2008-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of tRNA m(1)A58 methyltransferase TrmI from Aquifex aeolicus in complex with S-adenosyl-L-methionine.
J Struct Funct Genomics, 15, 2014
3SLC
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BU of 3slc by Molmil
Crystal structure of apo form of acetate kinase (AckA) from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, Acetate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2011-06-24
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and mechanistic investigations on Salmonella typhimurium acetate kinase (AckA): identification of a putative ligand binding pocket at the dimeric interface
Bmc Struct.Biol., 12, 2012
1G5C
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BU of 1g5c by Molmil
CRYSTAL STRUCTURE OF THE 'CAB' TYPE BETA CLASS CARBONIC ANHYDRASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-CARBONIC ANHYDRASE, CALCIUM ION, ...
Authors:Strop, P, Smith, K.S, Iverson, T.M, Ferry, J.G, Rees, D.C.
Deposit date:2000-10-31
Release date:2001-04-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the "cab"-type beta class carbonic anhydrase from the archaeon Methanobacterium thermoautotrophicum.
J.Biol.Chem., 276, 2001
3PA0
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BU of 3pa0 by Molmil
Crystal Structure of Chiral Gamma-PNA with Complementary DNA Strand: Insight Into the Stability and Specificity of Recognition an Conformational Preorganization
Descriptor: 1,2-ETHANEDIOL, DNA 5'-D(*AP*TP*CP*TP*GP*TP*GP*GP*TP*C)-3', PEPTIDE NUCLEIC ACID, ...
Authors:Yeh, J.I, Shivachev, B, Du, S.
Deposit date:2010-10-18
Release date:2010-12-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of chiral gammaPNA with complementary DNA strand: insights into the stability and specificity of recognition and conformational preorganization.
J.Am.Chem.Soc., 132, 2010
2A0Y
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BU of 2a0y by Molmil
Structure of human purine nucleoside phosphorylase H257D mutant
Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
Authors:Murkin, A.S, Shi, W, Schramm, V.L.
Deposit date:2005-06-17
Release date:2006-06-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
3H0W
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BU of 3h0w by Molmil
Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethylamino)-8-methyladenosine, PYRUVIC ACID, ...
Authors:Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E.
Deposit date:2009-04-10
Release date:2009-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
3W10
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BU of 3w10 by Molmil
Aurora kinase A complexed to pyrazole aminoquinoline I
Descriptor: 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-06
Release date:2014-02-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
7LXI
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BU of 7lxi by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase UmaA from Mycobacterium tuberculosis in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-03
Release date:2021-03-17
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the S-adenosylmethionine-dependent mycolic acid synthase UmaA from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 81, 2025
2P27
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BU of 2p27 by Molmil
Crystal Structure of Human Pyridoxal Phosphate Phosphatase with Mg2+ at 1.9 A resolution
Descriptor: MAGNESIUM ION, Pyridoxal phosphate phosphatase
Authors:Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-07
Release date:2007-03-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
4INX
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BU of 4inx by Molmil
Structure of Pheromone-binding protein 1 in complex with (Z,Z)-11,13- hexadecadienol
Descriptor: (11Z,13Z)-hexadeca-11,13-dien-1-ol, Pheromone-binding protein 1
Authors:di Luccio, E, Wilson, D.K.
Deposit date:2013-01-07
Release date:2013-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
4QT1
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BU of 4qt1 by Molmil
JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
Descriptor: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines
Bioorg.Med.Chem.Lett., 24, 2014
5STD
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BU of 5std by Molmil
SCYTALONE DEHYDRATASE PLUS INHIBITOR 2
Descriptor: (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE, CALCIUM ION, Scytalone dehydratase
Authors:Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
Deposit date:1999-02-10
Release date:1999-12-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
1YAJ
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BU of 1yaj by Molmil
Crystal Structure of Human Liver Carboxylesterase in complex with benzil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZOIC ACID, CES1 protein, ...
Authors:Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.M, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R.
Deposit date:2004-12-17
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
J.Mol.Biol., 352, 2005
2PA4
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Crystal structure of UDP-glucose pyrophosphorylase from Corynebacteria glutamicum in complex with magnesium and UDP-glucose
Descriptor: MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE, UTP-GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2007-03-27
Release date:2007-04-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active site geometry of glucose-1-phosphate uridylyltransferase.
Protein Sci., 16, 2007

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