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6X5K
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BU of 6x5k by Molmil
Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ...
Authors:Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L.
Deposit date:2020-05-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Acs Catalysis, 10, 2020
4PKY
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BU of 4pky by Molmil
ARNT/HIF transcription factor/coactivator complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, SULFATE ION, ...
Authors:Tomchick, D.R, Partch, C.L, Gardner, K.H.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Coiled-coil Coactivators Play a Structural Role Mediating Interactions in Hypoxia-inducible Factor Heterodimerization.
J.Biol.Chem., 290, 2015
6WGM
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BU of 6wgm by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A.
Deposit date:2020-04-05
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate
To Be Published
3FAY
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BU of 3fay by Molmil
Crystal structure of the GAP-related domain of IQGAP1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ras GTPase-activating-like protein IQGAP1
Authors:Kurella, V.B, Richard, J.M, Parke, C.L, Bellamy, H, Worthylake, D.K.
Deposit date:2008-11-18
Release date:2009-03-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the GTPase-activating protein-related domain from IQGAP1.
J.Biol.Chem., 284, 2009
1K93
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BU of 1k93 by Molmil
Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin
Descriptor: CALCIUM ION, CALMODULIN, CALMODULIN-SENSITIVE ADENYLATE CYCLASE, ...
Authors:Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J.
Deposit date:2001-10-26
Release date:2002-01-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin.
Nature, 415, 2002
1K46
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BU of 1k46 by Molmil
Crystal Structure of the Type III Secretory Domain of Yersinia YopH Reveals a Domain-Swapped Dimer
Descriptor: PROTEIN-TYROSINE PHOSPHATASE YOPH
Authors:Smith, C.L, Khandelwal, P, Keliikuli, K, Zuiderweg, E.R.P, Saper, M.A.
Deposit date:2001-10-05
Release date:2001-11-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the type III secretion and substrate-binding domain of Yersinia YopH phosphatase.
Mol.Microbiol., 42, 2001
3F3D
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BU of 3f3d by Molmil
Crystal structure of LeuT bound to L-Methionine and sodium
Descriptor: METHIONINE, SODIUM ION, Transporter, ...
Authors:Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
Deposit date:2008-10-30
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
6X5P
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BU of 6x5p by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
3F4I
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BU of 3f4i by Molmil
Crystal Structure of LeuT bound to L-selenomethionine and sodium
Descriptor: SELENOMETHIONINE, SODIUM ION, Transporter, ...
Authors:Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
Deposit date:2008-10-31
Release date:2008-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
6WTE
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BU of 6wte by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound
Descriptor: 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ...
Authors:Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
Deposit date:2020-05-02
Release date:2020-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
3FC6
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BU of 3fc6 by Molmil
hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875
Descriptor: Nr1h3 protein, RETINOIC ACID, Retinoic acid receptor RXR-alpha, ...
Authors:Washburn, D.G, Hoang, T.H, Campobasso, N, Smallwood, A, Parks, D.J, Webb, C.L, Frank, K, Nord, M, Duraiswami, C, Evans, C, Jaye, M, Thompson, S.K.
Deposit date:2008-11-21
Release date:2009-02-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.
Bioorg.Med.Chem.Lett., 19, 2009
6WM7
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BU of 6wm7 by Molmil
Periplasmic EDTA-binding protein EppA, orthorhombic
Descriptor: 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ...
Authors:Lewis, K.M, Greene, C.L, Sattler, S.A, Xun, L, Kang, C.
Deposit date:2020-04-20
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1.
Int J Mol Sci, 21, 2020
6WTF
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BU of 6wtf by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound
Descriptor: COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ...
Authors:Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
Deposit date:2020-05-02
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
3F3E
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BU of 3f3e by Molmil
Crystal structure of LeuT bound to L-leucine (30 mM) and sodium
Descriptor: LEUCINE, SODIUM ION, Transporter, ...
Authors:Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
Deposit date:2008-10-30
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
1LW4
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BU of 1lw4 by Molmil
X-ray structure of L-Threonine Aldolase (low-specificity) in complex with L-allo-threonine
Descriptor: 3-HYDROXY-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUTYRIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Kielkopf, C.L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-05-30
Release date:2002-12-11
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Structures of Threonine Aldolase Complexes: Structural Basis of Substrate Recognition
Biochemistry, 41, 2002
1M18
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BU of 1m18 by Molmil
LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor: Histone H2A.1, Histone H2B.1, Histone H3.2, ...
Authors:Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
3F4J
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BU of 3f4j by Molmil
Crystal structure of LeuT bound to glycine and sodium
Descriptor: GLYCINE, SODIUM ION, Transporter, ...
Authors:Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
Deposit date:2008-10-31
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
3F48
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BU of 3f48 by Molmil
Crystal structure of LeuT bound to L-alanine and sodium
Descriptor: ALANINE, SODIUM ION, Transporter, ...
Authors:Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
Deposit date:2008-10-31
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
1LB2
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BU of 1lb2 by Molmil
Structure of the E. coli alpha C-terminal domain of RNA polymerase in complex with CAP and DNA
Descriptor: 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*AP*G)-3', 5'-D(*CP*TP*TP*TP*TP*TP*TP*CP*CP*TP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
Authors:Benoff, B, Yang, H, Lawson, C.L, Parkinson, G, Liu, J, Blatter, E, Ebright, Y.W, Berman, H.M, Ebright, R.H.
Deposit date:2002-04-01
Release date:2002-09-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of transcription activation: the CAP-alpha CTD-DNA complex.
Science, 297, 2002
6X6K
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BU of 6x6k by Molmil
Cryo-EM Structure of the Helicobacter pylori dCag3 OMC
Descriptor: Cag pathogenicity island protein, Cag pathogenicity island protein (Cag7), Type IV secretion system apparatus protein CagX
Authors:Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
Deposit date:2020-05-28
Release date:2020-10-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
6XN6
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BU of 6xn6 by Molmil
ScoE with the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-02
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
6X6J
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BU of 6x6j by Molmil
Cryo-EM Structure of CagX and CagY within the Helicobacter pylori PR
Descriptor: Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8)
Authors:Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
Deposit date:2020-05-28
Release date:2020-09-30
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
6X6L
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BU of 6x6l by Molmil
Cryo-EM Structure of CagX and CagY within the dCag3 Helicobacter pylori PR
Descriptor: Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8)
Authors:Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
Deposit date:2020-05-28
Release date:2020-09-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
6X64
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BU of 6x64 by Molmil
Legionella pneumophila Dot T4SS PR
Descriptor: Type IV secretion system unknown protein fragment
Authors:Durie, C.L, Sheedlo, M.J, Chung, J.M, Byrne, B.G, Su, M, Knight, T, Swanson, M.S, Lacy, D.B, Ohi, M.D.
Deposit date:2020-05-27
Release date:2020-10-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural analysis of the Legionella pneumophila Dot/Icm type IV secretion system core complex.
Elife, 9, 2020
6XY1
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BU of 6xy1 by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 4-KE-4.
Descriptor: 4-KE-4
Authors:Edgell, C.L, Savery, N.J, Woolfson, D.N.
Deposit date:2020-01-29
Release date:2020-03-18
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020

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