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6W8I
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BU of 6w8i by Molmil
Ternary complex structure - BTK cIAP compound 15
Descriptor: 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ...
Authors:Calabrese, M.F, Schiemer, J.S.
Deposit date:2020-03-20
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Characterization of BTK:PROTAC:cIAP Ternary Complexes: From Snapshots to Ensembles
Nat.Chem.Biol., 2020
5M35
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BU of 5m35 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
3E6Z
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BU of 3e6z by Molmil
1.0 A Structure of CusF-W44A-Cu(II) residues 10-88 from Escherichia coli
Descriptor: ACETATE ION, COPPER (II) ION, Cation efflux system protein cusF
Authors:Loftin, I.R.
Deposit date:2008-08-17
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Tryptophan Cu(I)-pi interaction fine-tunes the metal binding properties of the bacterial metallochaperone CusF
J.Biol.Inorg.Chem., 14, 2009
3EXY
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BU of 3exy by Molmil
Crystal structure of the 2[4Fe-4S] ferredoxin V13G variant from allochromatium vinosum
Descriptor: Ferredoxin, IRON/SULFUR CLUSTER
Authors:Giastas, P, Saridakis, E, Mavridis, I.M.
Deposit date:2008-10-17
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Insight into the protein and solvent contributions to the reduction potentials of [4Fe-4S]2+/+ clusters: crystal structures of the Allochromatium vinosum ferredoxin variants C57A and V13G and the homologous Escherichia coli ferredoxin.
J.Biol.Inorg.Chem., 14, 2009
2VXI
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BU of 2vxi by Molmil
The binding of heme and zinc in Escherichia coli Bacterioferritin
Descriptor: BACTERIOFERRITIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Willies, S.C, Isupov, M.N, Garman, E.F, Littlechild, J.A.
Deposit date:2008-07-04
Release date:2008-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The Binding of Haem and Zinc in the 1.9 A X-Ray Structure of Escherichia Coli Bacterioferritin.
J.Biol.Inorg.Chem., 14, 2009
2VXG
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BU of 2vxg by Molmil
Crystal structure of the conserved C-terminal region of Ge-1
Descriptor: CG6181-PA, ISOFORM A
Authors:Jinek, M, Eulalio, A, Lingel, A, Helms, S, Conti, E, Izaurralde, E.
Deposit date:2008-07-04
Release date:2008-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The C-Terminal Region of Ge-1 Presents Conserved Structural Features Required for P-Body Localization.
RNA, 14, 2008
2IHM
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BU of 2ihm by Molmil
Polymerase mu in ternary complex with gapped 11mer DNA duplex and bound incoming nucleotide
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', 5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*TP*G)-3', ...
Authors:Moon, A.F, Pedersen, L.C, Kunkel, T.A.
Deposit date:2006-09-26
Release date:2006-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the substrate specificity of DNA Polymerase mu.
Nat.Struct.Mol.Biol., 14, 2007
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
Descriptor: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-03
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
1YCD
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BU of 1ycd by Molmil
Crystal structure of yeast FSH1/YHR049W, a member of the serine hydrolase family
Descriptor: 2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE, Hypothetical 27.3 kDa protein in AAP1-SMF2 intergenic region
Authors:Leulliot, N, Graille, M, Coste, F, Quevillon-Cheruel, S, Janin, J, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG)
Deposit date:2004-12-22
Release date:2005-05-10
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast YHR049W/FSH1, a member of the serine hydrolase family.
Protein Sci., 14, 2005
1YDG
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BU of 1ydg by Molmil
Crystal Structure of Trp repressor binding protein WrbA
Descriptor: SULFATE ION, trp repressor binding protein WrbA
Authors:Gorman, J, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-12-23
Release date:2005-01-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the tryptophan repressor binding protein WrbA and complexes with flavin mononucleotide.
Protein Sci., 14, 2005
1Y8G
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BU of 1y8g by Molmil
Catalytic and ubiqutin-associated domains of MARK2/PAR-1: Inactive double mutant with selenomethionine
Descriptor: MAP/Microtubule affinity-regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2004-12-12
Release date:2006-02-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006
1Y66
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BU of 1y66 by Molmil
Dioxane contributes to the altered conformation and oligomerization state of a designed engrailed homeodomain variant
Descriptor: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, CADMIUM ION, ...
Authors:Hom, G.K, Lassila, J.K, Thomas, L.M, Mayo, S.L.
Deposit date:2004-12-03
Release date:2005-03-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dioxane contributes to the altered conformation and oligomerization state of a designed engrailed homeodomain variant.
Protein Sci., 14, 2005
2J9L
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BU of 2j9l by Molmil
Cytoplasmic Domain of the Human Chloride Transporter ClC-5 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE CHANNEL PROTEIN 5, CHLORIDE ION
Authors:Meyer, S, Savaresi, S, Forster, I.C, Dutzler, R.
Deposit date:2006-11-13
Release date:2007-01-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nucleotide Recognition by the Cytoplasmic Domain of the Human Chloride Transporter Clc-5
Nat.Struct.Mol.Biol., 14, 2006
2IMB
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BU of 2imb by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
Descriptor: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2J19
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BU of 2j19 by Molmil
Ferrous Chloroperoxidase (high dose data set)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Beitlich, T, Kuhnel, K, Schulze-Briese, C, Shoeman, R.L, Schlichting, I.
Deposit date:2006-08-09
Release date:2006-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cryoradiolytic Reduction of Crystalline Heme Proteins: Analysis by Uv-Vis Spectroscopy and X-Ray Crystallography
J.Synchrotron Radiat., 14, 2007
2IVF
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BU of 2ivf by Molmil
Ethylbenzene dehydrogenase from Aromatoleum aromaticum
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ...
Authors:Kloer, D.P, Hagel, C, Heider, J, Schulz, G.E.
Deposit date:2006-06-13
Release date:2006-09-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of Ethylbenzene Dehydrogenase from Aromatoleum Aromaticum
Structure, 14, 2006
2J18
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BU of 2j18 by Molmil
Chloroperoxidase mixture of ferric and ferrous states (low dose data set)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Beitlich, T, Kuhnel, K, Schulze-Briese, C, Shoeman, R.L, Schlichting, I.
Deposit date:2006-08-09
Release date:2006-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cryoradiolytic Reduction of Crystalline Heme Proteins: Analysis by Uv-Vis Spectroscopy and X-Ray Crystallography
J.Synchrotron Radiat., 14, 2007
1YEL
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BU of 1yel by Molmil
Structure of the hypothetical Arabidopsis thaliana protein At1g16640.1
Descriptor: At1g16640
Authors:Peterson, F.C, Waltner, J.K, Lytle, B.L, Volkman, B.F, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-12-28
Release date:2005-01-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the B3 domain from Arabidopsis thaliana protein At1g16640
Protein Sci., 14, 2005
1YFI
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BU of 1yfi by Molmil
Crystal Structure of restriction endonuclease MspI in complex with its cognate DNA in P212121 space group
Descriptor: 5'-D(*CP*CP*CP*CP*CP*GP*GP*GP*GP*G)-3', Type II restriction enzyme MspI
Authors:Xu, Q.S, Kucera, R.B, Roberts, R.J, Guo, H.-C.
Deposit date:2005-01-02
Release date:2006-01-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two crystal forms of the restriction enzyme MspI-DNA complex show the same novel structure.
Protein Sci., 14, 2005
2J44
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BU of 2j44 by Molmil
Alpha-glucan binding by a streptococcal virulence factor
Descriptor: ALKALINE AMYLOPULLULANASE, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Lammerts van Bueren, A, Higgins, M, Wang, D, Burke, R.D, Boraston, A.B.
Deposit date:2006-08-24
Release date:2006-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Structural Basis of Binding to Host Lung Glycogen by Streptococcal Virulence Factors.
Nat.Struct.Mol.Biol., 14, 2007
1YHD
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BU of 1yhd by Molmil
The solution structure of YGGX from Escherichia Coli
Descriptor: UPF0269 protein yggX
Authors:Osborne, M.J, Siddiqui, N, Landgraf, D, Pomposiello, P.J, Gehring, K.
Deposit date:2005-01-07
Release date:2005-01-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the oxidative stress-related protein YggX from Escherichia coli.
Protein Sci., 14, 2005
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
Descriptor: Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2J43
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BU of 2j43 by Molmil
Alpha-glucan recognition by family 41 carbohydrate-binding modules from streptococcal virulence factors
Descriptor: SPYDX
Authors:Lammerts van Bueren, A, Higgins, M, Wang, D, Burke, R.D, Boraston, A.B.
Deposit date:2006-08-24
Release date:2006-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Structural Basis of Binding to Host Lung Glycogen by Streptococcal Virulence Factors.
Nat.Struct.Mol.Biol., 14, 2007
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
Descriptor: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
5JM4
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BU of 5jm4 by Molmil
Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU
Authors:Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T.
Deposit date:2016-04-28
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017

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