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4I3S
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BU of 4i3s by Molmil
Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P21
Descriptor: CALCIUM ION, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ...
Authors:Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D.
Deposit date:2012-11-26
Release date:2013-01-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04.
J.Virol., 87, 2013
2M2J
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BU of 2m2j by Molmil
Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG).
Descriptor: Putative periplasmic protein
Authors:Houliston, S, Yee, A, Lemak, A, Garcia, M, Wu, B, Savchenko, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-12-21
Release date:2013-05-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
2MFY
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BU of 2mfy by Molmil
Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-trans dicarba Vc1.1
Descriptor: Alpha-conotoxin Vc1A
Authors:Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S.
Deposit date:2013-10-24
Release date:2013-12-18
Method:SOLUTION NMR
Cite:Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors.
Acs Chem.Biol., 8, 2013
3ZBF
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BU of 3zbf by Molmil
Structure of Human ROS1 Kinase Domain in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2012-11-08
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1
N.Engl.J.Med., 368, 2013
4I3W
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BU of 4i3w by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with gylceraldehyde-3-phosphate and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), GLYCERALDEHYDE-3-PHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I4J
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BU of 4i4j by Molmil
The structure of SgcE10, the ACP-polyene thioesterase involved in C-1027 biosynthesis
Descriptor: 1,2-ETHANEDIOL, ACP-polyene thioesterase, D(-)-TARTARIC ACID, ...
Authors:Kim, Y, Bigelow, L, Bearden, J, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-11-27
Release date:2012-12-12
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (2.784 Å)
Cite:Crystal Structure of Thioesterase SgcE10 Supporting Common Polyene Intermediates in 9- and 10-Membered Enediyne Core Biosynthesis.
Acs Omega, 2, 2017
2P2A
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BU of 2p2a by Molmil
X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution
Descriptor: 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Frydenvang, K, Kastrup, J.S, Gajhede, M.
Deposit date:2007-03-07
Release date:2007-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
4HYX
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BU of 4hyx by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle
Descriptor: Bacteriorhodopsin, DECANE, GLYCEROL, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-14
Release date:2013-03-20
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HWL
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BU of 4hwl by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle
Descriptor: Bacteriorhodopsin, GLYCEROL, HEPTANE, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4I3T
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BU of 4i3t by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in the apo state
Descriptor: Aldehyde dehydrogenase (NAD+), PHOSPHATE ION
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I6L
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BU of 4i6l by Molmil
Crystal structure of OTUB1 in complex with ubiquitin variant
Descriptor: Ubiquitin, Ubiquitin thioesterase OTUB1
Authors:Juang, Y.C, Sicheri, F.
Deposit date:2012-11-29
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
2PKT
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BU of 2pkt by Molmil
Crystal structure of the human CLP-36 (PDLIM1) bound to the C-terminal peptide of human alpha-actinin-1
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Uppenberg, J, Gileadi, C, Elkins, J, Bray, J, Burgess-Brown, N, Salah, E, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-04-18
Release date:2007-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
2N3U
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BU of 2n3u by Molmil
Solution structure of the Rpn1 T1 site engaging two monoubiquitin molecules
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N0K
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BU of 2n0k by Molmil
Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5
Descriptor: Alpha-crystallin B chain
Authors:Rajagopal, P, Klevit, R.E, Shi, L, Baker, D.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
2MXM
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BU of 2mxm by Molmil
NMR solution structure of TRTX-Tp1a from the tarantula Thrixopelma pruriens
Descriptor: entity
Authors:Rosengren, K.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], a New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma pruriens.
Mol.Pharmacol., 88, 2015
2PVS
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BU of 2pvs by Molmil
Structure of human pancreatic lipase related protein 2 mutant N336Q
Descriptor: CALCIUM ION, Pancreatic lipase-related protein 2, SULFATE ION
Authors:Spinelli, S, Eydoux, C, Carriere, F, Cambillau, C.
Deposit date:2007-05-10
Release date:2007-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation.
Biochemistry, 47, 2008
2PK3
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BU of 2pk3 by Molmil
Crystal Structure of a GDP-4-keto-6-deoxy-D-mannose reductase
Descriptor: GDP-6-deoxy-D-lyxo-4-hexulose reductase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Webb, N.A, Garavito, R.M.
Deposit date:2007-04-17
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The structural basis for catalytic function of GMD and RMD, two closely related enzymes from the GDP-D-rhamnose biosynthesis pathway.
Febs J., 276, 2009
2Q3G
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BU of 2q3g by Molmil
Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7
Authors:Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
7RQQ
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BU of 7rqq by Molmil
Structure of chimeric antibody F10heavy_L9light with PfCSP peptide NANPNVDP
Descriptor: 1,2-ETHANEDIOL, F10 Heavy Chain, L9 Kappa Chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-08-06
Release date:2022-03-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
7RQP
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BU of 7rqp by Molmil
Structure of PfCSP NPNV binding antibody L9
Descriptor: L9 Heavy Chain, L9 Kappa Chain
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-08-06
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
6MEE
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BU of 6mee by Molmil
Crystal structure of broadly neutralizing antibody HEPC74
Descriptor: antibody HEPC74 Heavy Chain, antibody HEPC74 Light Chain
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
7RQR
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BU of 7rqr by Molmil
Structure of chimeric antibody L9heavy_F10light with PfCSP peptide NANPNVDP
Descriptor: 1,2-ETHANEDIOL, F10 Kappa Chain, L9 Heavy Chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-08-06
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
6M8Q
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BU of 6m8q by Molmil
Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531
Descriptor: Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ...
Authors:Weihofen, W.A, Salcius, M, Michaud, G.
Deposit date:2018-08-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma.
Nat.Chem.Biol., 16, 2020
1SE6
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BU of 1se6 by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ...
Authors:Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
Deposit date:2004-02-16
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
6MEH
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BU of 6meh by Molmil
Crystal structure of broadly neutralizing antibody HEPC74 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E2 glycoprotein, ...
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018

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