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5WHK
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BU of 5whk by Molmil
Crystal structure of Fab fragment of antibody DX-2507 bound to FcRn-B2M
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, ...
Authors:Edwards, T.E, Clifton, M.C, Nixon, A.E, Kenniston, J.A.
Deposit date:2017-07-17
Release date:2017-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for pH-insensitive inhibition of immunoglobulin G recycling by an anti-neonatal Fc receptor antibody.
J. Biol. Chem., 292, 2017
5W7X
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BU of 5w7x by Molmil
Crystal Structure of FHA domain of human APLF in complex with XRCC1 bisphospho peptide
Descriptor: Aprataxin and PNK-like factor, DNA repair protein XRCC1
Authors:Pedersen, L.C, Kim, K, London, R.E.
Deposit date:2017-06-21
Release date:2018-05-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Characterization of the APLF FHA-XRCC1 phosphopeptide interaction and its structural and functional implications.
Nucleic Acids Res., 45, 2017
5WMI
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BU of 5wmi by Molmil
Arabidopsis thaliana Prephenate Aminotransferase mutant- T84V
Descriptor: 2-OXOGLUTARIC ACID, Bifunctional aspartate aminotransferase and glutamate/aspartate-prephenate aminotransferase
Authors:Jez, J.M, Holland, C.K.
Deposit date:2017-07-28
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for substrate recognition and inhibition of prephenate aminotransferase from Arabidopsis.
Plant J., 94, 2018
2XGM
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BU of 2xgm by Molmil
Substrate and product analogues as human O-GlcNAc transferase inhibitors.
Descriptor: ALLOXAN, XCOGT
Authors:Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M.
Deposit date:2010-06-07
Release date:2010-08-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
1V0O
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BU of 1v0o by Molmil
Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex
Descriptor: 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG
Authors:Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J.
Deposit date:2004-03-31
Release date:2004-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
4OSQ
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BU of 4osq by Molmil
Crystal structure of the S505R mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3, ...
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
1UO4
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BU of 1uo4 by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
2XK9
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BU of 2xk9 by Molmil
Structural analysis of checkpoint kinase 2 (Chk2) in complex with inhibitor PV1533
Descriptor: CHECKPOINT KINASE 2, N-{4-[(1E)-N-(N-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Shoemaker, R.H, Pommier, Y, Waugh, D.S.
Deposit date:2010-07-07
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
1ZHI
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BU of 1zhi by Molmil
Complex of the S. cerevisiae Orc1 and Sir1 interacting domains
Descriptor: Origin recognition complex subunit 1, Regulatory protein SIR1
Authors:Hou, Z, Bernstein, D.A, Fox, C.A, Keck, J.L.
Deposit date:2005-04-25
Release date:2005-06-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the Sir1-origin recognition complex interaction in transcriptional silencing.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4OVS
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BU of 4ovs by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFUROSPIRILLUM DELEYIANUM DSM 6946 (Sdel_0447), TARGET EFI-510309, WITH BOUND SUCCINATE
Descriptor: CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-12-13
Release date:2014-01-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4HZ2
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BU of 4hz2 by Molmil
Crystal structure of glutathione s-transferase xaut_3756 (target efi-507152) from xanthobacter autotrophicus py2
Descriptor: BENZOIC ACID, GLUTATHIONE, Glutathione S-transferase domain, ...
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, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-11-14
Release date:2012-11-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of glutathione s-transferase xaut_3756 from xanthobacter autotrophicus py2
To be Published
4HK3
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BU of 4hk3 by Molmil
I2 Fab (unbound) from CH65-CH67 Lineage
Descriptor: I2 heavy chain, I2 light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
1UZ0
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BU of 1uz0 by Molmil
Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with Glc-4Glc-3Glc-4Glc
Descriptor: CALCIUM ION, CELLULASE B, CHLORIDE ION, ...
Authors:Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
Deposit date:2004-03-03
Release date:2004-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
3VFT
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BU of 3vft by Molmil
crystal structure of HLA B*3508LPEP-P6Ala, peptide mutant P6-ala
Descriptor: Beta-2-microglobulin, LPEP peptide from EBV, P6A, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2012-01-10
Release date:2012-02-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
5SXX
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BU of 5sxx by Molmil
Crystal structure of the E198A variant of Burkholderia pseudomallei catalase-peroxidase KatG with INH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
4O8H
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BU of 4o8h by Molmil
0.85A resolution structure of PEG 400 Bound Cyclophilin D
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S.
Deposit date:2013-12-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4OZ0
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BU of 4oz0 by Molmil
Crystal structure of human CAPERalpha U2AF homology motif (apo-state)
Descriptor: CHLORIDE ION, RNA-binding protein 39
Authors:Loerch, S, Kielkopf, C.L.
Deposit date:2014-02-13
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cancer-relevant splicing factor CAPER alpha engages the essential splicing factor SF3b155 in a specific ternary complex.
J.Biol.Chem., 289, 2014
5SXR
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BU of 5sxr by Molmil
Crystal structure of B. pseudomallei KatG with NAD bound
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
2XPL
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BU of 2xpl by Molmil
Crystal structure of Iws1(Spn1) conserved domain from Encephalitozoon cuniculi
Descriptor: CHLORIDE ION, IWS1
Authors:Koch, M, Diebold, M.-L, Cura, V, Cavarelli, J, Romier, C.
Deposit date:2010-08-27
Release date:2010-11-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26
Embo J., 29, 2010
2XGB
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BU of 2xgb by Molmil
Crystal structure of Barley Beta-Amylase complexed with 2,3- epoxypropyl-alpha-D-glucopyranoside
Descriptor: (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, BETA-AMYLASE
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-06-02
Release date:2010-12-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
3VPN
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BU of 3vpn by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human
to be published
4L0M
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BU of 4l0m by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
Descriptor: ADENINE, putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-05-31
Release date:2013-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
to be published
4OCA
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BU of 4oca by Molmil
Cryatal structure of ArnB K188A complexted with PLP and UDP-Ara4N
Descriptor: (2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr an-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase
Authors:Sousa, M.C, Lee, M.
Deposit date:2014-01-08
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Substrate Specificity in ArnB. A Key Enzyme in the Polymyxin Resistance Pathway of Gram-Negative Bacteria.
Biochemistry, 53, 2014
4ODP
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BU of 4odp by Molmil
Structure of SlyD delta-IF from Thermus thermophilus in complex with S2-W23A peptide
Descriptor: 30S ribosomal protein S2, CALCIUM ION, CHLORIDE ION, ...
Authors:Quistgaard, E.M, Low, C, Nordlund, P.
Deposit date:2014-01-10
Release date:2015-01-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
4OC6
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BU of 4oc6 by Molmil
Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ...
Authors:Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
Deposit date:2014-01-08
Release date:2014-08-13
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

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