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2QXJ
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BU of 2qxj by Molmil
Crystal Structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone and Copper
Descriptor: COPPER (II) ION, Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Authors:Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P.
Deposit date:2007-08-11
Release date:2008-01-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1IYT
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BU of 1iyt by Molmil
Solution structure of the Alzheimer's disease amyloid beta-peptide (1-42)
Descriptor: Alzheimer's disease amyloid
Authors:Crescenzi, O, Tomaselli, S, Guerrini, R, Salvadori, S, D'Ursi, A.M, Temussi, P.A, Picone, D.
Deposit date:2002-09-06
Release date:2003-02-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the Alzheimer amyloid beta-peptide (1-42) in an apolar microenvironment. Similarity with a virus fusion domain.
EUR.J.BIOCHEM., 269, 2002
5RFL
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BU of 5rfl by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389
Descriptor: 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
4IAG
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BU of 4iag by Molmil
Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein
Authors:Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-12-06
Release date:2013-02-20
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
3O9Z
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BU of 3o9z by Molmil
Crystal structure of the WlbA (WbpB) dehydrogenase from Thermus thermophilus in complex with NAD and alpha-ketoglutarate at 1.45 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-08-04
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Structural and Functional Studies of WlbA: A Dehydrogenase Involved in the Biosynthesis of 2,3-Diacetamido-2,3-dideoxy-d-mannuronic Acid .
Biochemistry, 49, 2010
3G0Y
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BU of 3g0y by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin
Descriptor: 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-01-29
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
3OCF
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BU of 3ocf by Molmil
Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis in native form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Fumarate lyase:Delta crystallin
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-09
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis in native form
To be Published
1YXL
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BU of 1yxl by Molmil
Crystal structure of a novel phospholipase A2 from Naja naja sagittifera at 1.5 A resolution
Descriptor: ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ...
Authors:Singh, R.K, Jabeen, T, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2005-02-22
Release date:2005-03-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:Crystal Structure of a novel phospholipase A2 from Naja naja sagittifera at 1.5 A resolution
To be Published
1S6B
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BU of 1s6b by Molmil
X-ray Crystal Structure of a Complex Formed Between Two Homologous Isoforms of Phospholipase A2 from Naja naja sagittifera: Principle of Molecular Association and Inactivation
Descriptor: ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ...
Authors:Jabeen, T, Sharma, S, Singh, R.K, Kaur, P, Singh, T.P.
Deposit date:2004-01-23
Release date:2004-02-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a calcium-induced dimer of two isoforms of cobra phospholipase A2 at 1.6 A resolution.
Proteins, 59, 2005
1ZAA
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BU of 1zaa by Molmil
ZINC FINGER-DNA RECOGNITION: CRYSTAL STRUCTURE OF A ZIF268-DNA COMPLEX AT 2.1 ANGSTROMS
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), PROTEIN (ZIF268), ...
Authors:Pavletich, N.P, Pabo, C.O.
Deposit date:1992-09-17
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Zinc finger-DNA recognition: crystal structure of a Zif268-DNA complex at 2.1 A.
Science, 252, 1991
2PCX
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BU of 2pcx by Molmil
Crystal structure of p53DBD(R282Q) at 1.54-angstrom Resolution
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Tu, C, Shaw, G, Ji, X.
Deposit date:2007-03-30
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Impact of low-frequency hotspot mutation R282Q on the structure of p53 DNA-binding domain as revealed by crystallography at 1.54 angstroms resolution.
Acta Crystallogr.,Sect.D, 64, 2008
3SWR
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BU of 3swr by Molmil
Structure of human DNMT1 (601-1600) in complex with Sinefungin
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (cytosine-5)-methyltransferase 1, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2011-07-14
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of human DNMT1 (residues 600-1600) in complex with Sinefungin
To be Published
1SDO
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BU of 1sdo by Molmil
Crystal Structure of Restriction Endonuclease BstYI
Descriptor: BstYI
Authors:Townson, S.A, Samuelson, J.C, Vanamee, E.S, Edwards, T.A, Escalante, C.R, Xu, S.Y, Aggarwal, A.K.
Deposit date:2004-02-13
Release date:2004-05-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of BstYI at 1.85 A Resolution: A Thermophilic Restriction Endonuclease with Overlapping Specificities to BamHI and BglII
J.Mol.Biol., 338, 2004
3OCI
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BU of 3oci by Molmil
Crystal structure of TBP (TATA box binding protein)
Descriptor: 1,2-ETHANEDIOL, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1)
Authors:Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P.
Deposit date:2010-08-10
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP.
Nature, 475, 2011
2QXI
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BU of 2qxi by Molmil
High resolution structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone
Descriptor: Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Authors:Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P.
Deposit date:2007-08-11
Release date:2008-01-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QYV
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BU of 2qyv by Molmil
Crystal structure of putative Xaa-His dipeptidase (YP_718209.1) from Haemophilus somnus 129PT at 2.11 A resolution
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-15
Release date:2007-08-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of putative Xaa-His dipeptidase (YP_718209.1) from Haemophilus somnus 129PT at 2.11 A resolution
To be published
2R1V
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BU of 2r1v by Molmil
Norepinephrine quinone conjugation to DJ-1
Descriptor: DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DJ-1 activation by catechol quinone conjugation
To be Published
2R1T
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BU of 2r1t by Molmil
dopamine quinone conjugation to DJ-1
Descriptor: DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DJ-1 is a proisopeptidase
To be Published
2QAP
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BU of 2qap by Molmil
Fructose-1,6-bisphosphate aldolase from Leishmania mexicana
Descriptor: Fructose-1,6-bisphosphate aldolase, PHOSPHATE ION
Authors:Lafrance-Vanasse, J, Sygusch, J.
Deposit date:2007-06-15
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Carboxy-Terminus Recruitment Induced by Substrate Binding in Eukaryotic Fructose Bis-phosphate Aldolases
Biochemistry, 46, 2007
2QKB
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BU of 2qkb by Molmil
Human RNase H catalytic domain mutant D210N in complex with 20-mer RNA/DNA hybrid
Descriptor: 1,2-ETHANEDIOL, 5'-D(*DGP*DGP*DAP*DAP*DTP*DCP*DAP*DGP*DGP*DTP*DGP*DTP*DCP*DGP*DCP*DAP*DCP*DTP*DCP*DT)-3', 5'-R(*GP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3'), ...
Authors:Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W.
Deposit date:2007-07-10
Release date:2007-11-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription
Mol.Cell, 28, 2007
2B55
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BU of 2b55 by Molmil
Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312
Descriptor: 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2
Authors:Muckelbauer, J.
Deposit date:2005-09-27
Release date:2005-10-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3
J.Med.Chem., 45, 2002
3OQ8
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BU of 3oq8 by Molmil
Crystal structure of isocitrate lyase from Brucella melitensis, bound to the product mimic malonate
Descriptor: 1,2-ETHANEDIOL, Isocitrate lyase, MALONIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-09-02
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of isocitrate lyase from Brucella melitensis, bound to the product mimic malonate
To be Published
2QEY
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BU of 2qey by Molmil
Rat cytosolic PEPCK in complex with GTP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Sullivan, S.M, Holyoak, T.
Deposit date:2007-06-26
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of rat cytosolic PEPCK: insight into the mechanism of phosphorylation and decarboxylation of oxaloacetic acid.
Biochemistry, 46, 2007
2QIS
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BU of 2qis by Molmil
Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Kavanagh, K.L, Dunford, J.E, Hozjan, V, Evdokimov, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-07-05
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate.
To be Published
2QTW
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BU of 2qtw by Molmil
The Crystal Structure of PCSK9 at 1.9 Angstroms Resolution Reveals structural homology to Resistin within the C-terminal domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Hampton, E.N, Knuth, M.W, Li, J, Harris, J.L, Lesley, S.A, Spraggon, G.
Deposit date:2007-08-02
Release date:2007-09-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The self-inhibited structure of full-length PCSK9 at 1.9 A reveals structural homology with resistin within the C-terminal domain.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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