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4EK8
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BU of 4ek8 by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
Descriptor: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-04-09
Release date:2013-05-01
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
1L00
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BU of 1l00 by Molmil
PERTURBATION OF TRP 138 IN T4 LYSOZYME BY MUTATIONS AT GLN 105 USED TO CORRELATE CHANGES IN STRUCTURE, STABILITY, SOLVATION, AND SPECTROSCOPIC PROPERTIES
Descriptor: BETA-MERCAPTOETHANOL, T4 LYSOZYME
Authors:Pjura, P, Mcintosh, L.P, Wozniak, J.A, Matthews, B.W.
Deposit date:1992-07-13
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Perturbation of Trp 138 in T4 lysozyme by mutations at Gln 105 used to correlate changes in structure, stability, solvation, and spectroscopic properties.
Proteins, 15, 1993
1KYN
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BU of 1kyn by Molmil
Cathepsin-G
Descriptor: (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID, cathepsin G
Authors:Greco, M.N, Hawkins, M.J, Powell, E.T, Almond Jr, H.R, Corcoran, T.W, De Garavilla, L, Kauffman, J.A, Recacha, R, Chattopadhyay, D, Andrade-Gordon, P, Maryanoff, B.E.
Deposit date:2002-02-05
Release date:2002-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design.
J.Am.Chem.Soc., 124, 2002
4ESM
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BU of 4esm by Molmil
Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum Y155A mutation
Descriptor: COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Paul, L.P, Corn, I.R, Wagner, K.T, Abu-Omar, M.M, Das, C.
Deposit date:2012-04-23
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
1L8D
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BU of 1l8d by Molmil
Rad50 coiled-coil Zn hook
Descriptor: CITRIC ACID, DNA double-strand break repair rad50 ATPase, MERCURY (II) ION, ...
Authors:Hopfner, K.P, Tainer, J.A.
Deposit date:2002-03-20
Release date:2002-08-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Rad50 zinc-hook is a structure joining Mre11 complexes in DNA recombination and repair.
Nature, 418, 2002
1LA2
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BU of 1la2 by Molmil
Structural analysis of Saccharomyces cerevisiae myo-inositol phosphate synthase
Descriptor: Myo-inositol-1-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kniewel, R, Buglino, J.A, Shen, V, Chadna, T, Beckwith, A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-03-27
Release date:2002-04-10
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural analysis of Saccharomyces cerevisiae myo-inositol phosphate synthase
J.STRUCT.FUNCT.GENOM., 2, 2002
1LFK
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BU of 1lfk by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-11
Release date:2002-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
1KYP
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BU of 1kyp by Molmil
Crystal Structure of an Apo Green Fluorescent Protein Zn Biosensor
Descriptor: Green Fluorescent Protein, MAGNESIUM ION
Authors:Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2002-02-05
Release date:2002-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural chemistry of a green fluorescent protein Zn biosensor.
J.Am.Chem.Soc., 124, 2002
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J.A, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C6H
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BU of 4c6h by Molmil
Haloalkane dehalogenase with 1-hexanol
Descriptor: CHLORIDE ION, HALOALKANE DEHALOGENASE, HEXAN-1-OL, ...
Authors:Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae.
FEBS Lett., 588, 2014
4BUR
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BU of 4bur by Molmil
Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD
Descriptor: APOPTOSIS INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
Deposit date:2013-06-23
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
1KWP
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BU of 1kwp by Molmil
Crystal Structure of MAPKAP2
Descriptor: MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION
Authors:Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A.
Deposit date:2002-01-30
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That Couples Kinase Activation with Nuclear Export
J.Biol.Chem., 277, 2002
4DF1
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BU of 4df1 by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, NICKEL (II) ION, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-01-22
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus complexed with inhibitor BMP
To be Published
1KD1
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BU of 1kd1 by Molmil
Co-crystal Structure of Spiramycin bound to the 50S Ribosomal Subunit of Haloarcula marismortui
Descriptor: 23S RRNA, 5S RRNA, CADMIUM ION, ...
Authors:Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A.
Deposit date:2001-11-12
Release date:2002-07-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
4DEJ
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BU of 4dej by Molmil
Crystal structure of glutathione transferase-like protein IL0419 (Target EFI-501089) from Idiomarina loihiensis L2TR
Descriptor: Glutathione S-transferase related protein
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-01-20
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Glutathione S-Transferase-Like Protein Il0419 from Idiomarina Loihiensis
To be Published
4DPQ
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BU of 4dpq by Molmil
The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana in complex with (S)-lysine
Descriptor: Dihydrodipicolinate synthase 2, chloroplastic, LYSINE, ...
Authors:Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G.
Deposit date:2012-02-14
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
1LK6
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BU of 1lk6 by Molmil
Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhou, A, Huntington, J.A, Lomas, D.A, Carrell, R.W, Stein, P.E.
Deposit date:2002-04-24
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serpin Polymerization Is Prevented by a Hydrogen Bond Network That Is Centered on His-334 and Stabilized by Glycerol
J.Biol.Chem., 278, 2003
4DNM
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BU of 4dnm by Molmil
Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-08
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221
to be published
1LQ1
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BU of 1lq1 by Molmil
DNA Complexed Structure of the Key Transcription Factor Initiating Development in Sporulation Bacteria
Descriptor: 5'-D(*AP*CP*AP*AP*AP*AP*TP*TP*CP*GP*AP*CP*AP*CP*GP*A)-3', 5'-D(*TP*TP*CP*GP*TP*GP*TP*CP*GP*AP*AP*TP*TP*TP*TP*G)-3', Stage 0 sporulation protein A
Authors:Zhao, H, Msadek, T, Zapf, J, Madhusudan, Hoch, J.A, Varughese, K.I.
Deposit date:2002-05-08
Release date:2002-08-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA complexed structure of the key transcription factor initiating development in sporulating bacteria.
Structure, 10, 2002
4DXK
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BU of 4dxk by Molmil
Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate
Descriptor: Mandelate racemase / muconate lactonizing enzyme family protein, PHOSPHATE ION, SODIUM ION
Authors:Vetting, M.W, Bouvier, J.T, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-27
Release date:2012-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate
to be published
4DZI
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BU of 4dzi by Molmil
Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium subsp. paratuberculosis K-10
Descriptor: CADMIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium
To be Published
4CVO
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BU of 4cvo by Molmil
Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6
Descriptor: DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION
Authors:Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2014-03-28
Release date:2014-04-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
1L8V
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BU of 1l8v by Molmil
Crystal Structure of a Mutant (C109G,G212C) P4-P6 Domain of the Group I Intron from Tetrahymena Thermophilia
Descriptor: MAGNESIUM ION, P4-P6 RNA ribozyme domain
Authors:Battle, D.J, Doudna, J.A.
Deposit date:2002-03-21
Release date:2002-08-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Specificity of RNA-RNA Helix Recognition
Proc.Natl.Acad.Sci.USA, 99, 2002
4D2D
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BU of 4d2d by Molmil
Structure of a tri peptide bound POT family peptide transporter
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALANINE-TRIPEPTIDE, ...
Authors:Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S.
Deposit date:2014-05-09
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters.
Embo Rep., 15, 2014
1LF4
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BU of 1lf4 by Molmil
STRUCTURE OF PLASMEPSIN II
Descriptor: Plasmepsin 2
Authors:Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M.
Deposit date:2002-04-10
Release date:2002-10-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003

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