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3VMO
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BU of 3vmo by Molmil
Crystal structure of dextranase from Streptococcus mutans in complex with isomaltotriose
Descriptor: Dextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
Authors:Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Okuyama, M, Mori, H, Funane, K, Kimura, A.
Deposit date:2011-12-14
Release date:2012-02-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
J.Biol.Chem., 287, 2012
3VG5
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BU of 3vg5 by Molmil
Barium derivative of human LFABP
Descriptor: BARIUM ION, Fatty acid-binding protein, liver, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3FA3
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BU of 3fa3 by Molmil
Crystal structure of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member, trigonal crystal form
Descriptor: 2,2-difluoro-3,3-dihydroxybutanedioic acid, 2,3-dimethylmalate lyase, GLYCEROL, ...
Authors:Narayanan, B.C, Herzberg, O.
Deposit date:2008-11-14
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member.
J.Mol.Biol., 386, 2009
3VV8
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BU of 3vv8 by Molmil
Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one
Descriptor: 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL
Authors:Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
Deposit date:2012-07-17
Release date:2012-10-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
3VNA
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BU of 3vna by Molmil
Structural insights into small RNA sorting and mRNA binding by Arabidopsis Ago Mid domains
Descriptor: Protein argonaute 1, SULFATE ION
Authors:Yuan, Y.A, Zha, X.
Deposit date:2012-01-11
Release date:2012-10-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into small RNA sorting and mRNA target binding by Arabidopsis Argonaute Mid domains
Febs Lett., 586, 2012
2BDB
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BU of 2bdb by Molmil
Porcine pancreatic elastase complexed with Asn-Pro-Ile and Ala-Ala at pH 5.0
Descriptor: ALANINE, CALCIUM ION, Elastase-1, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
3FMF
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BU of 3fmf by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with 7,8 diaminopelargonic acid carbamate
Descriptor: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, Dethiobiotin synthetase
Authors:Dey, S, Sacchettini, J.C.
Deposit date:2008-12-21
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Biochemistry, 49, 2010
2BDC
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BU of 2bdc by Molmil
Porcine pancreatic elastase complexed with Asn-Pro-Ile at pH 5.0
Descriptor: CALCIUM ION, Elastase-1, SULFATE ION
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
3FOU
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BU of 3fou by Molmil
Low pH structure of the Rieske protein from Thermus thermophilus at 2.1 A
Descriptor: ACETATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Hunsicker-Wang, L.M, Taylor, A.B.
Deposit date:2009-01-02
Release date:2009-10-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effects of pH on the Rieske Protein from Thermus thermophilus: A Spectroscopic and Structural Analysis
Biochemistry, 48, 2009
2BD2
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BU of 2bd2 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
3F4F
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BU of 3f4f by Molmil
Crystal structure of dUT1p, a dUTPase from Saccharomyces cerevisiae
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Yakunin, A.F, Savchenko, A.
Deposit date:2008-10-31
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and activity of the Saccharomyces cerevisiae dUTP pyrophosphatase DUT1, an essential housekeeping enzyme.
Biochem.J., 437, 2011
2FU0
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BU of 2fu0 by Molmil
Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain
Descriptor: cyclophilin, putative
Authors:Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2006-01-25
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3F95
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BU of 3f95 by Molmil
Crystal Structure of Extra C-terminal Domain (X) of Exo-1,3/1,4-beta-glucanase (ExoP) from Pseudoalteromonas sp. BB1
Descriptor: Beta-glucosidase, CHLORIDE ION
Authors:Nakatani, Y, Cutfield, S.M, Cutfield, J.F.
Deposit date:2008-11-13
Release date:2009-11-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and activity of exo-1,3/1,4-beta-glucanase from marine bacterium Pseudoalteromonas sp. BB1 showing a novel C-terminal domain
Febs J., 2011
3F8M
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BU of 3f8m by Molmil
Crystal Structure of PhnF from Mycobacterium smegmatis
Descriptor: GLYCEROL, GntR-family protein transcriptional regulator
Authors:Busby, J.N, Gebhard, S, Cook, G.M, Lott, S.J, Baker, E.N, Money, V.A.
Deposit date:2008-11-12
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PhnF, a GntR-family transcription regulator in Mycobacterium smegmatis
To be Published
2GC2
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BU of 2gc2 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with Fructose 6-phosphate and zinc
Descriptor: FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
3FN7
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BU of 3fn7 by Molmil
Crystal structure of sortase A (Spy1154) from Streptococcus pyogenes serotype M1 strain SF370
Descriptor: Sortase A
Authors:Banfield, M.J.
Deposit date:2008-12-23
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Streptococcus pyogenes Sortase A: Implications for Sortase mechanism
J.Biol.Chem., 284, 2009
3U6W
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BU of 3u6w by Molmil
Truncated M. tuberculosis LeuA (1-425) complexed with KIV
Descriptor: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, GLYCEROL, ...
Authors:Koon, N, Baker, E.N, Squire, C.J.
Deposit date:2011-10-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding.
Biochemistry, 51, 2012
3FKT
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BU of 3fkt by Molmil
Crystal Structure of Human Beta Secretase Complexed with Spiropiperdine Iminohydantoin Inhibitor
Descriptor: Beta-secretase 1, N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
Authors:Munshi, S.
Deposit date:2008-12-17
Release date:2009-01-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and X-ray Crystallographic Analysis of a Iminohydantoin Inhibitor of beta-Secretase
J.Med.Chem., 51, 2008
3FN3
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BU of 3fn3 by Molmil
Dimeric Structure of PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Chen, Y, Gao, F, Liu, P, Chu, F, Qi, J, Gao, G.F.
Deposit date:2008-12-23
Release date:2009-12-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A dimeric structure of PD-L1: functional units or evolutionary relics?
Protein Cell, 1, 2010
3UC8
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BU of 3uc8 by Molmil
Trp-cage cyclo-TC1 - tetragonal crystal form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1
Authors:Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H.
Deposit date:2011-10-26
Release date:2012-07-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UWZ
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BU of 3uwz by Molmil
Crystal structure of Staphylococcus aureus triosephosphate isomerase complexed with glycerol-2-phosphate
Descriptor: 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, Triosephosphate isomerase
Authors:Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K.
Deposit date:2011-12-03
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
3FOQ
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BU of 3foq by Molmil
Crystal structure of N-acetylglucosamine-1-phosphate uridyltransferase (GlmU) from Mycobacterium tuberculosis in a cubic space group.
Descriptor: Bifunctional protein glmU, SULFATE ION
Authors:Verma, S.K, Prakash, B.
Deposit date:2008-12-31
Release date:2009-06-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structure of N-acetylglucosamine-1-phosphate uridyltransferase (GlmU) from Mycobacterium tuberculosis in a cubic space group.
Acta Crystallogr.,Sect.F, 65, 2009
3FPA
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BU of 3fpa by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with dethiobiotin and phosphate
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Dethiobiotin synthetase, MAGNESIUM ION, ...
Authors:Dey, S, Sacchettini, J.C.
Deposit date:2009-01-04
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase.
Biochemistry, 49, 2010
3FT0
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BU of 3ft0 by Molmil
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAAAHAAAAM), chemically reduced
Descriptor: Azurin, COPPER (I) ION
Authors:Banfield, M.J.
Deposit date:2009-01-12
Release date:2009-03-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
Descriptor: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
Authors:Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
Deposit date:2011-09-29
Release date:2012-08-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012

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