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5CGY
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BU of 5cgy by Molmil
Fab fragment of Chikungunya virus neutralizing human monoclonal antibody 4J21
Descriptor: Heavy Chain of Fab, Light Chain of Fab
Authors:Long, F, Crowe, J.E, Rossmann, M.G.
Deposit date:2015-07-09
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Cryo-EM structures elucidate neutralizing mechanisms of anti-chikungunya human monoclonal antibodies with therapeutic activity.
Proc.Natl.Acad.Sci.USA, 112, 2015
6DD6
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BU of 6dd6 by Molmil
Crystal structure of bacterial (6-4) photolyase PhrB from in situ serial Laue diffraction
Descriptor: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Ren, Z.
Deposit date:2018-05-09
Release date:2018-07-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal-on-crystal chips for in situ serial diffraction at room temperature.
Lab Chip, 18, 2018
5CHW
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BU of 5chw by Molmil
Structure of ISG15 in space group P212121
Descriptor: GLYCEROL, SULFATE ION, Ubiquitin-like protein ISG15
Authors:Fritz, G, Basters, A.
Deposit date:2015-07-10
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of ISG15 in space group P212121
To Be Published
5BWZ
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BU of 5bwz by Molmil
Crystal structure of S39E HDAC8 in complex with Droxinostat
Descriptor: Droxinostat, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Christianson, D.W.
Deposit date:2015-06-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant.
Biochemistry, 58, 2019
2OLQ
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BU of 2olq by Molmil
How Does an Enzyme Recognize CO2?
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBON DIOXIDE, MAGNESIUM ION, ...
Authors:Puttick, J, Goldie, H, Cotelesage, J.J, Rajabi, B, Novakovski, B, Delbaere, L.T.
Deposit date:2007-01-19
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:How does an enzyme recognize CO2?
Int.J.Biochem.Cell Biol., 39, 2007
2PR6
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BU of 2pr6 by Molmil
Structural Basis for Light-dependent Signaling in the Dimeric LOV Photosensor YtvA (Light Structure)
Descriptor: Blue-light photoreceptor, FLAVIN MONONUCLEOTIDE
Authors:Moglich, A, Moffat, K.
Deposit date:2007-05-03
Release date:2007-08-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Light-dependent Signaling in the Dimeric LOV Domain of the Photosensor YtvA.
J.Mol.Biol., 373, 2007
2FAI
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BU of 2fai by Molmil
Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide
Descriptor: 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
Deposit date:2005-12-07
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2PRT
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BU of 2prt by Molmil
Structure of the Wilms Tumor Suppressor Protein Zinc Finger Domain Bound to DNA
Descriptor: DNA (5'-D(*CP*AP*GP*AP*CP*GP*CP*CP*CP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*GP*GP*GP*CP*GP*TP*CP*TP*G)-3'), Wilms tumor 1, ...
Authors:Stoll, R, Lee, B.M, Debler, E.W, Laity, J.H, Wilson, I.A, Dyson, H.J, Wright, P.E.
Deposit date:2007-05-04
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of the Wilms tumor suppressor protein zinc finger domain bound to DNA
J.Mol.Biol., 372, 2007
2F6X
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BU of 2f6x by Molmil
Crystal Structure of (S)-3-O-Geranylgeranylglyceryl Phosphate Synthase complexed with sn-G1P and MPD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-3-O-Geranylgeranylglyceryl Phosphate Synthase, SN-GLYCEROL-1-PHOSPHATE
Authors:Payandeh, J.M.
Deposit date:2005-11-29
Release date:2006-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase reveals an ancient fold for an ancient enzyme
J.Biol.Chem., 281, 2006
2FDU
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BU of 2fdu by Molmil
Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
Descriptor: Cytochrome P450 2A6, N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2PFF
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BU of 2pff by Molmil
Structural Insights of Yeast Fatty Acid Synthase
Descriptor: Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, Tail protein
Authors:Xiong, Y, Lomakin, I.B, Steitz, T.A.
Deposit date:2007-04-04
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural Insights of Yeast Fatty Acid Synthase
Cell(Cambridge,Mass.), 129, 2007
2PI4
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BU of 2pi4 by Molmil
T7RNAP complexed with a phi10 protein and initiating GTPs.
Descriptor: 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*CP*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', ...
Authors:Kennedy, W.P, Momand, J.R, Yin, Y.W.
Deposit date:2007-04-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase.
J.Mol.Biol., 370, 2007
2FK2
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BU of 2fk2 by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, Cu(I)-bound
Descriptor: Amyloid beta A4 protein precursor, COPPER (I) ION
Authors:Kong, G.K.-W, Parker, M.W.
Deposit date:2006-01-03
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-binding Domain Reveal How it Binds Copper Ions
J.Mol.Biol., 367, 2007
2EYS
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BU of 2eys by Molmil
A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition
Descriptor: ACETIC ACID, NKT15
Authors:Kjer-Nielsen, L, Borg, N.A.
Deposit date:2005-11-09
Release date:2006-03-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition
J.Exp.Med., 203, 2006
5E9Z
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BU of 5e9z by Molmil
Cytochrome P450 BM3 mutant M11
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ...
Authors:Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P.
Deposit date:2015-10-15
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Proteins, 84, 2016
5DKJ
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BU of 5dkj by Molmil
Yeast 20S proteasome in complex with octreotide-PI
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Beck, P, Cui, H, Groll, M.
Deposit date:2015-09-03
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
2PGB
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BU of 2pgb by Molmil
Inhibitor-free human thrombin mutant C191A-C220A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SULFATE ION
Authors:Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E.
Deposit date:2007-04-09
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery
J.Biol.Chem., 282, 2007
2QBT
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BU of 2qbt by Molmil
Structural Studies Reveal The Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 8.0)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-18
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
2FMA
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BU of 2fma by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, atomic resolution
Descriptor: Amyloid beta A4 protein precursor, GLYCEROL
Authors:Kong, G.K.-W.
Deposit date:2006-01-08
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure of Alzheimer's disease amyloid precursor protein copper-binding domain at atomic resolution.
Acta Crystallogr.,Sect.F, 63, 2007
2R0Z
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BU of 2r0z by Molmil
PFA1 FAB complexed with GripI peptide fragment
Descriptor: GLYCEROL, GripI peptide fragment, IgG2a Fab fragment heavy chain, ...
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2007-08-21
Release date:2007-10-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QF1
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BU of 2qf1 by Molmil
Rat cytosolic PEPCK in complex with oxaloacetic acid.
Descriptor: MANGANESE (II) ION, OXALOACETATE ION, Phosphoenolpyruvate carboxykinase, ...
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 (1.8 Å)
Cite:Structures of rat cytosolic PEPCK: insight into the mechanism of phosphorylation and decarboxylation of oxaloacetic acid.
Biochemistry, 46, 2007
2QAF
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BU of 2qaf by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP
Descriptor: Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE
Authors:Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F.
Deposit date:2007-06-15
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase
J.Med.Chem., 51, 2008
2QEX
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BU of 2qex by Molmil
Negamycin Binds to the Wall of the Nascent Chain Exit Tunnel of the 50S Ribosomal Subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L11P, ...
Authors:Schroeder, S.J, Blaha, G.
Deposit date:2007-06-26
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Negamycin binds to the wall of the nascent chain exit tunnel of the 50S ribosomal subunit.
Antimicrob.Agents Chemother., 51, 2007
2F6U
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BU of 2f6u by Molmil
Crystal Structure of (S)-3-O-Geranylgeranylglyceryl Phosphate Synthase complexed with citrate
Descriptor: (S)-3-O-Geranylgeranylglyceryl Phosphate Synthase, CITRIC ACID
Authors:Payandeh, J.
Deposit date:2005-11-29
Release date:2006-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase reveals an ancient fold for an ancient enzyme
J.Biol.Chem., 281, 2006
2FDW
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BU of 2fdw by Molmil
Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound
Descriptor: (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006

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