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3HA9
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BU of 3ha9 by Molmil
The 1.7A Crystal Structure of a Thioredoxin-like Protein from Aeropyrum pernix
Descriptor: uncharacterized Thioredoxin-like protein
Authors:Stein, A.J, Cuff, M.E, Sather, A, Hendricks, R, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-01
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7A Crystal Structure of a Thioredoxin-like Protein from Aeropyrum pernix
To be Published
3GMV
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BU of 3gmv by Molmil
Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Apo Form
Descriptor: Beta-lactamase inhibitory protein BLIP-I, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Lim, D.C, Gretes, M, Strynadka, N.C.J.
Deposit date:2009-03-15
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 2009
3GW4
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BU of 3gw4 by Molmil
Crystal structure of uncharacterized protein from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR162B.
Descriptor: Uncharacterized protein
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-31
Release date:2009-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Northeast Structural Genomics Consortium Target DrR162B
To be published
3H9W
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BU of 3h9w by Molmil
Crystal Structure of the N-terminal domain of Diguanylate cyclase with PAS/PAC sensor (Maqu_2914) from Marinobacter aquaeolei, Northeast Structural Genomics Consortium Target MqR66C
Descriptor: Diguanylate cyclase with PAS/PAC sensor
Authors:Seetharaman, J, Su, M, Wang, H, Foote, E.L, Mao, L, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-04-30
Release date:2009-05-19
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Northeast Structural Genomics Consortium Target MqR66C
To be Published
3HCQ
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BU of 3hcq by Molmil
Structural analysis of the choline binding protein ChoX in a semi-closed and ligand-free conformation
Descriptor: Putative choline ABC transporter, periplasmic solute-binding component
Authors:Oswald, C, Smits, S.H.J, Hoeing, M, Bremer, E, Schmitt, L.
Deposit date:2009-05-06
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural analysis of the choline-binding protein ChoX in a semi-closed and ligand-free conformation.
Biol.Chem., 390, 2009
3H7N
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BU of 3h7n by Molmil
Structure of Nup120
Descriptor: Nucleoporin NUP120
Authors:Seo, H.S, Ma, Y, Debler, E.W, Blobel, G, Hoelz, A.
Deposit date:2009-04-27
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and functional analysis of Nup120 suggests ring formation of the Nup84 complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HCK
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BU of 3hck by Molmil
NMR ensemble of the uncomplexed human HCK SH2 domain, 20 structures
Descriptor: HCK SH2
Authors:Zhang, W, Smithgall, T.E, Gmeiner, W.H.
Deposit date:1997-03-31
Release date:1997-10-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequential assignment and secondary structure determination for the Src homology 2 domain of hematopoietic cellular kinase.
FEBS Lett., 406, 1997
3HIM
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BU of 3him by Molmil
The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A
Descriptor: Probable transcriptional regulator
Authors:Stein, A.J, Binkowski, T.A, Evdokimova, E, Kagan, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-20
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A
To be Published
3HGD
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BU of 3hgd by Molmil
Crystal Structure of 2-Se-Thymidine Derivatized DNA
Descriptor: 5'-D(*GP*(UMS)P*GP*(US3)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E, Zhang, W, Huang, Z.
Deposit date:2009-05-13
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:High fidelity of base pairing by 2-selenothymidine in DNA.
J.Am.Chem.Soc., 132, 2010
3HH8
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BU of 3hh8 by Molmil
Crystal Structure and metal binding properties of the lipoprotein MtsA
Descriptor: FE (III) ION, Metal ABC transporter substrate-binding lipoprotein
Authors:Baker, E.N, Baker, H.M, Sun, X, Ye, Q.-Y.
Deposit date:2009-05-15
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure and metal binding properties of the lipoprotein MtsA, responsible for iron transport in Streptococcus pyogenes.
Biochemistry, 48, 2009
3HK1
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BU of 3hk1 by Molmil
Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins
Descriptor: 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte
Authors:Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A.
Deposit date:2009-05-22
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins.
J.Med.Chem., 52, 2009
8DUI
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BU of 8dui by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(dimethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Descriptor: Estrogen receptor, [(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Authors:Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
Deposit date:2022-07-27
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
8DV7
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BU of 8dv7 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethyl)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Descriptor: Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Authors:Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
Deposit date:2022-07-28
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
4U0P
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BU of 4u0p by Molmil
The Crystal Structure of Lipoyl Synthase in Complex with S-Adenosyl Homocysteine
Descriptor: IRON/SULFUR CLUSTER, Lipoyl synthase 2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Harmer, J.E, Hiscox, M.J, Sandy, J, Dinis, P.C, Roach, P.L.
Deposit date:2014-07-13
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.623 Å)
Cite:Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions.
Biochem.J., 464, 2014
5K7R
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BU of 5k7r by Molmil
MicroED structure of trypsin at 1.7 A resolution
Descriptor: CALCIUM ION, Cationic trypsin
Authors:de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
Deposit date:2016-05-26
Release date:2017-04-05
Last modified:2018-08-22
Method:ELECTRON CRYSTALLOGRAPHY (1.7 Å)
Cite:Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
8DUG
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BU of 8dug by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((S)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Descriptor: Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Authors:Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
Deposit date:2022-07-27
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
8DUB
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BU of 8dub by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with ((1'-(4-((1-ethylpyrrolidin-3-yl)methyl)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Descriptor: Estrogen receptor, [(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Authors:Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
Deposit date:2022-07-27
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
4NZS
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BU of 4nzs by Molmil
Crystal structure of beta-ketothiolase BktB B from Ralstonia eutropha H16
Descriptor: Beta-ketothiolase BktB
Authors:Kim, E.J, Son, H, Kim, S, Kim, K.J.
Deposit date:2013-12-12
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure and biochemical characterization of beta-keto thiolase B from polyhydroxyalkanoate-producing bacterium Ralstonia eutropha H16
Biochem.Biophys.Res.Commun., 444, 2014
8EAQ
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BU of 8eaq by Molmil
Structure of the full-length IP3R1 channel determined at high Ca2+
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 1, ...
Authors:Fan, G, Baker, M.R, Terry, L.E, Arige, V, Chen, M, Seryshev, A.B, Baker, M.L, Ludtke, S.J, Yule, D.I, Serysheva, I.I.
Deposit date:2022-08-29
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Conformational motions and ligand-binding underlying gating and regulation in IP 3 R channel.
Nat Commun, 13, 2022
8EAR
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BU of 8ear by Molmil
Structure of the full-length IP3R1 channel determined in the presence of Calcium/IP3/ATP
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Fan, G, Baker, M.R, Terry, L.E, Arige, V, Chen, M, Seryshev, A.B, Baker, M.L, Ludtke, S.J, Yule, D.I, Serysheva, I.I.
Deposit date:2022-08-29
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Conformational motions and ligand-binding underlying gating and regulation in IP 3 R channel.
Nat Commun, 13, 2022
8DXS
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BU of 8dxs by Molmil
Cryo-EM structure of RBD-directed neutralizing antibody P2B4 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P2B4 Heavy chain, P2B4 Light chain, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-08-03
Release date:2022-12-07
Last modified:2023-01-18
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
8DW9
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BU of 8dw9 by Molmil
Crystal structure of neutralizing antibody D29 Fab in complex with SARS-CoV-2 spike receptor binding domain (RBD)
Descriptor: D29 Fab light chain, D29 Heavy chain, Spike protein S1
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-08-01
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
4TXO
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BU of 4txo by Molmil
Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S)
Descriptor: Blr1131 protein, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Scharer, M.A, Abicht, H.K, Glockshuber, R, Hennecke, H.
Deposit date:2014-07-04
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Periplasmic Thioredoxin TlpA Reduces Bacterial Copper Chaperone ScoI and Cytochrome Oxidase Subunit II (CoxB) Prior to Metallation.
J.Biol.Chem., 289, 2014
3UNJ
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BU of 3unj by Molmil
CDK2 in complex with inhibitor YL1-038-31
Descriptor: 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION
Authors:Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E.
Deposit date:2011-11-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9001 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
8E5W
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BU of 8e5w by Molmil
Crystal structure of dehydroalanine Hip1
Descriptor: DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ...
Authors:Goldfarb, N.E, Brooks, C.L, Ostrov, D.A.
Deposit date:2022-08-22
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022

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