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2FRA
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Human Cathepsin S with CRA-27934, a Nitrile Inhibitor
Descriptor: N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S
Authors:Somoza, J.R.
Deposit date:2006-01-19
Release date:2006-07-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Cathepsin S with CRA-27934, a Nitrile Inhibitor
To be Published
2QTG
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BU of 2qtg by Molmil
Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with 5'-methylthiotubercidin
Descriptor: 1,2-ETHANEDIOL, 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine nucleosidase
Authors:Siu, K.K.W, Howell, P.L.
Deposit date:2007-08-02
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases.
J.Mol.Biol., 378, 2008
2FY4
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BU of 2fy4 by Molmil
Structures of ligand bound human choline acetyltransferase provide insight into regulation of acetylcholine synthesis
Descriptor: COENZYME A, Choline O-acetyltransferase
Authors:Kim, A.R, Rylett, R.J, Shilton, B.H.
Deposit date:2006-02-07
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006
2QX7
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BU of 2qx7 by Molmil
Structure of Eugenol Synthase from Ocimum basilicum
Descriptor: Eugenol synthase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Louie, G.V, Noel, J.P, Bowman, M.E.
Deposit date:2007-08-10
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and reaction mechanism of basil eugenol synthase
Plos One, 2, 2007
2G2W
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BU of 2g2w by Molmil
Crystal Structure of the SHV D104K Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
2R13
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BU of 2r13 by Molmil
Crystal structure of human mitoNEET reveals a novel [2Fe-2S] cluster coordination
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1
Authors:Hou, X, Liu, R, Ross, S, Smart, E.J, Zhu, H, Gong, W.
Deposit date:2007-08-22
Release date:2007-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies of human MitoNEET
J.Biol.Chem., 282, 2007
2R1X
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BU of 2r1x by Molmil
Crystal structure of S25-2 Fab in complex with Kdo analogues
Descriptor: 2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid-(4-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ...
Authors:Brooks, C.L, Evans, S.V.
Deposit date:2007-08-23
Release date:2008-12-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
2G33
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BU of 2g33 by Molmil
Human Hepatitis B Virus T=4 capsid, strain adyw
Descriptor: Core antigen
Authors:Bourne, C.R, Zlotnick, A.
Deposit date:2006-02-17
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
2R2W
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Urokinase plasminogen activator B-chain-GPPE complex
Descriptor: 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine, Plasminogen activator, urokinase, ...
Authors:Zeslawska, E.
Deposit date:2007-08-28
Release date:2007-10-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.
Bioorg.Med.Chem.Lett., 17, 2007
2QFW
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Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with isocitrate
Descriptor: ISOCITRIC ACID, Isocitrate dehydrogenase [NADP]
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
2FSK
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BU of 2fsk by Molmil
Crystal structure of Ta0583, an archaeal actin homolog, SeMet data
Descriptor: hypothetical protein Ta0583
Authors:Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
Deposit date:2006-01-23
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
2G7O
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BU of 2g7o by Molmil
Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM
Descriptor: Protein traM
Authors:Lu, J, Edwards, R.A, Wong, J.J, Manchak, J, Scott, P.G, Frost, L.S, Glover, J.N.
Deposit date:2006-02-28
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM.
Embo J., 25, 2006
2QIK
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BU of 2qik by Molmil
Crystal structure of YkqA from Bacillus subtilis. Northeast Structural Genomics Target SR631
Descriptor: CITRIC ACID, UPF0131 protein ykqA
Authors:Benach, J, Chen, Y, Forouhar, F, Seetharaman, J, Baran, M.C, Cunningham, K, Ma, L.-C, Owens, L, Chen, C.X, Rong, X, Janjua, H, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-07-05
Release date:2007-07-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of YkqA from Bacillus subtilis.
To be Published
2G8J
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Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor.
Descriptor: ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER, CALCIUM ION, Calpain-1 catalytic subunit
Authors:Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L.
Deposit date:2006-03-02
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography
Biochemistry, 45, 2006
2QJT
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Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis
Descriptor: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase
Authors:Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H.
Deposit date:2007-07-09
Release date:2008-03-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
2FWV
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BU of 2fwv by Molmil
Crystal Structure of Rv0813
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852
Authors:Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE)
Deposit date:2006-02-03
Release date:2006-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria
J.Bacteriol., 189, 2007
2FYF
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Structure of a putative phosphoserine aminotransferase from Mycobacterium Tuberculosis
Descriptor: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION, ...
Authors:Coulibaly, F, Lassalle, E, Baker, E.N, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-02-07
Release date:2007-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 68, 2012
2QOL
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BU of 2qol by Molmil
Human EphA3 kinase and juxtamembrane region, Y596:Y602:S768G triple mutant
Descriptor: Ephrin receptor
Authors:Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-07-20
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
2QQ8
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BU of 2qq8 by Molmil
Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14
Descriptor: TBC1 domain family member 14, UNKNOWN ATOM OR ION
Authors:Tong, Y, Tempel, W, Dimov, S, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-07-26
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14.
To be Published
2QQG
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Hst2 bound to ADP-HPD, acetyllated histone H4 and nicotinamide
Descriptor: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Histone H4, NAD-dependent deacetylase HST2, ...
Authors:Marmorstein, R, Sanders, B, Zhao, K, Slama, J.
Deposit date:2007-07-26
Release date:2007-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007
2QQJ
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Crystal Structure of the b1b2 Domains from Human Neuropilin-2
Descriptor: GLYCEROL, Neuropilin-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2FSN
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BU of 2fsn by Molmil
Crystal structure of Ta0583, an archaeal actin homolog, complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, hypothetical protein Ta0583
Authors:Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
Deposit date:2006-01-23
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
2FT2
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Human Cathepsin S with Inhibitor CRA-29728
Descriptor: N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S
Authors:Somoza, J.R.
Deposit date:2006-01-23
Release date:2006-07-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human Cathepsin S with Inhibitor CRA-29728
To be Published
2FO5
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BU of 2fo5 by Molmil
Crystal structure of recombinant barley cysteine endoprotease B isoform 2 (EP-B2) in complex with leupeptin
Descriptor: ACE-LEU-LEU-argininal (leupeptin), Cysteine proteinase EP-B 2, SULFATE ION
Authors:Bethune, M.T, Strop, P, Brunger, A.T, Khosla, C.
Deposit date:2006-01-12
Release date:2006-07-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterologous Expression, Purification, Refolding, and Structural-Functional Characterization of EP-B2, a Self-Activating Barley Cysteine Endoprotease.
Chem.Biol., 13, 2006
2QVV
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Porcine Liver Fructose-1,6-bisphosphatase cocrystallized with Fru-2,6-P2 and Zn2+, I(T)-state
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, PHOSPHATE ION, ...
Authors:Hines, J.K, Chen, X, Nix, J.C, Fromm, H.J, Honzatko, R.B.
Deposit date:2007-08-08
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of mammalian and bacterial fructose-1,6-bisphosphatase reveal the basis for synergism in AMP/fructose 2,6-bisphosphate inhibition
J.Biol.Chem., 282, 2007

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