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3QIP
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BU of 3qip by Molmil
Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2011-01-27
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0926 Å)
Cite:Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
4JVO
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BU of 4jvo by Molmil
Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with alanyl sulfamoyl adenylates
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, GLYCEROL, Microcin immunity protein MccF
Authors:Nocek, B, Tikhonov, A, Severinov, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-03-25
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with alanyl sulfamoyl adenylates
TO BE PUBLISHED
4JGM
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BU of 4jgm by Molmil
Crystal structure of RelB double mutants: Y300F/I335V
Descriptor: Transcription factor RelB
Authors:Huang, D.B, Vu, D, Ghosh, G.
Deposit date:2013-03-01
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structural basis for selective dimerization by NF-kappa B RelB.
J.Mol.Biol., 425, 2013
3N7R
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BU of 3n7r by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
Descriptor: Calcitonin gene-related peptide type 1 receptor, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, ...
Authors:Ter Haar, E.
Deposit date:2010-05-27
Release date:2010-09-15
Last modified:2022-10-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4FQL
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BU of 4fql by Molmil
Influenza B HA Antibody (Fab) CR8033
Descriptor: monoclonal antibody CR8033 heavy chain, monoclonal antibody CR8033 light chain
Authors:Dreyfus, C, Laursen, N.S, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
3M30
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BU of 3m30 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
5OY4
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BU of 5oy4 by Molmil
GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
Descriptor: Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ...
Authors:Bax, B.D, Convery, M.A.
Deposit date:2017-09-07
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
7ERE
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BU of 7ere by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Pyrantel Pamoate (PPA)
Descriptor: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
7ERC
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BU of 7erc by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Deferasirox (ICL)
Descriptor: 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
7M6G
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BU of 7m6g by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG7-15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-15 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6E
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BU of 7m6e by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG10-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BG10-19 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6H
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BU of 7m6h by Molmil
Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG7-20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-20 Fab Heavy Chain, BG7-20 Fab Light Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6D
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BU of 7m6d by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022
Descriptor: BG4-25 Fab Heavy Chain, BG4-25 Fab Light Chain, CR3022 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
6FER
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BU of 6fer by Molmil
Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
Descriptor: 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
1L2P
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BU of 1l2p by Molmil
ATP Synthase b Subunit Dimerization Domain
Descriptor: ATP Synthase B Chain
Authors:Del Rizzo, P.A, Dunn, S.D, Bi, Y, Shilton, B.H.
Deposit date:2002-02-22
Release date:2002-06-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The "second stalk" of Escherichia coli ATP synthase: structure of the isolated dimerization domain.
Biochemistry, 41, 2002
2OKV
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BU of 2okv by Molmil
c-Myc DNA Unwinding Element Binding Protein
Descriptor: MAGNESIUM ION, Probable D-tyrosyl-tRNA(Tyr) deacylase 1
Authors:Bae, B, Nair, S.K.
Deposit date:2007-01-17
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of the c-myc DNA-unwinding Element-binding Protein DUE-B.
J.Biol.Chem., 282, 2007
2OB7
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BU of 2ob7 by Molmil
Structure of tmRNA-(SmpB)2 complex as inferred from cryo-EM
Descriptor: 16S ribosomal RNA, SsrA-binding protein, transfer-messenger RNA
Authors:Frank, J, Felden, B, Gillet, R, Li, W.
Deposit date:2006-12-18
Release date:2007-01-23
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (13.6 Å)
Cite:Scaffolding as an organizing principle in trans-translation. The roles of small protein B and ribosomal protein S1.
J.Biol.Chem., 282, 2007
2HV1
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BU of 2hv1 by Molmil
HADDOCK structure of ARNT PAS-B Homodimer
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Card, P.B, Gardner, K.H.
Deposit date:2006-07-27
Release date:2007-08-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Practical aspects of using paramagnetic relaxation enhancements for protein docking: Application to the ARNT PAS-B homodimer
To be Published
3M1V
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BU of 3m1v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-05
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
5U4R
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BU of 5u4r by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 53-1A09 Fab.
Descriptor: VRC 315 53-1A09 Fab Heavy chain, VRC 315 53-1A09 Fab Light chain
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2016-12-05
Release date:2017-11-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.387 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
3NER
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BU of 3ner by Molmil
Structure of Human Type B Cytochrome b5
Descriptor: Cytochrome b5 type B, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Terzyan, S, Zhang, C, Rivera, M, Benson, D.B.
Deposit date:2010-06-09
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Accommodating a Non-Conservative Internal Mutation by Water-Mediated Hydrogen-Bonding Between beta-Sheet Strands: A Comparison of Human and Rat Type B (Mitochondrial) Cytochrome b5
Biochemistry, 50, 2011
1VRN
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BU of 1vrn by Molmil
PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC)
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baxter, R.H.G, Seagle, B.-L, Norris, J.R.
Deposit date:2005-02-23
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cryogenic structure of the photosynthetic reaction center of Blastochloris viridis in the light and dark.
Acta Crystallogr.,Sect.D, 61, 2005
1HNW
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BU of 1hnw by Molmil
STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH TETRACYCLINE
Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Brodersen, D.E, Clemons Jr, W.M, Carter, A.P, Morgan-Warren, R, Wimberly, B.T, Ramakrishnan, V.
Deposit date:2000-12-08
Release date:2001-02-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit.
Cell(Cambridge,Mass.), 103, 2000

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