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4GEE
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BU of 4gee by Molmil
Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Chen, Z, Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
1I5I
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BU of 1i5i by Molmil
THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN
Descriptor: (GAMMA-B) CRYSTALLIN
Authors:Zarutskie, J.A, Asherie, N, Pande, J, Pande, A, Lomakin, J, Lomakin, A, Ogun, O, Stern, L.J, King, J.A, Benedek, G.B.
Deposit date:2001-02-27
Release date:2001-03-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enhanced crystallization of the Cys18 to Ser mutant of bovine gammaB crystallin.
J.Mol.Biol., 314, 2001
4AOJ
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BU of 4aoj by Molmil
Human TrkA in complex with the inhibitor AZ-23
Descriptor: 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION
Authors:Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H.
Deposit date:2012-03-28
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
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
5WCC
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BU of 5wcc by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 02-1F07 Fab.
Descriptor: GLYCEROL, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ...
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
2O9T
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BU of 2o9t by Molmil
beta-glucosidase B from Bacillus polymyxa complexed with glucose
Descriptor: Beta-glucosidase B, beta-D-glucopyranose
Authors:Isorna, P, Polaina, J, Sanz-Aparicio, J.
Deposit date:2006-12-14
Release date:2007-10-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of Paenibacillus polymyxa beta-Glucosidase B Complexes Reveal the Molecular Basis of Substrate Specificity and Give New Insights into the Catalytic Machinery of Family I Glycosidases
J.Mol.Biol., 371, 2007
3M2R
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BU of 3m2r by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
2MKB
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BU of 2mkb by Molmil
Structure of NS2(113-137) GBVB protein
Descriptor: Protease NS2-3
Authors:Montserret, R, Martin, A, Penin, F.
Deposit date:2014-02-04
Release date:2014-05-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NS2 Proteins of GB Virus B and Hepatitis C Virus Share Common Protease Activities and Membrane Topologies.
J.Virol., 88, 2014
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:2024-11-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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
1HNX
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BU of 1hnx by Molmil
STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH PACTAMYCIN
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:2024-10-30
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
3M2U
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BU of 3m2u 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:2025-03-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
4S0R
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BU of 4s0r by Molmil
Structure of GS-TnrA complex
Descriptor: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ...
Authors:Schumacher, M.A, Chinnam, N.G, Cuthbert, B, Tonthat, N.K.
Deposit date:2015-01-04
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
5D7R
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BU of 5d7r by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-14
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7N8H
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BU of 7n8h by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-14
Release date:2021-07-14
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
5LGK
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BU of 5lgk by Molmil
Crystal structure of the human IgE-Fc bound to its B cell receptor derCD23
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ...
Authors:Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
Deposit date:2016-07-07
Release date:2017-04-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:IgE binds asymmetrically to its B cell receptor CD23.
Sci Rep, 7, 2017
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:2024-11-20
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
3ZCL
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BU of 3zcl by Molmil
X-ray Structure of c-Met kinase in complex with inhibitor (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3- b)pyridazin-6-amine
Descriptor: (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K.
Deposit date:2012-11-20
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
1D3U
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BU of 1d3u by Molmil
TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/BRE+TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI
Descriptor: DNA 23-MER: BRE+TATA-BOX, DNA 24-MER: BRE+TATA-BOX, TATA-BINDING PROTEIN, ...
Authors:Littlefield, O, Korkhin, Y, Sigler, P.B.
Deposit date:1999-10-01
Release date:1999-11-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structural basis for the oriented assembly of a TBP/TFB/promoter complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
2PGV
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BU of 2pgv by Molmil
GTB C209A
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION
Authors:Letts, J.A, Schuman, B.
Deposit date:2007-04-10
Release date:2007-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The effect of heavy atoms on the conformation of the active-site polypeptide loop in human ABO(H) blood-group glycosyltransferase B.
Acta Crystallogr.,Sect.D, 63, 2007
4LVD
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BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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
2K7S
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BU of 2k7s by Molmil
Human ARNT C-Terminal PAS Domain, 3 Residue IB slip
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Evans, M.R, Card, P.B, Gardner, K.H.
Deposit date:2008-08-20
Release date:2009-01-20
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:ARNT PAS-B has a fragile native state structure with an alternative beta-sheet register nearby in sequence space
Proc.Natl.Acad.Sci.USA, 106, 2009
5TU7
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BU of 5tu7 by Molmil
Crystal structure of Staphylococcus epidermidis Aap G511-spacer-G513 (consensus G5-spacer-consensus G5)
Descriptor: Accumulation-associated protein Aap G511-spacer-G513 (consensus G5-spacer-consensus G5)
Authors:Shelton, C.L, Conrady, D.G, Herr, A.B.
Deposit date:2016-11-05
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Functional consequences of B-repeat sequence variation in the staphylococcal biofilm protein Aap: deciphering the assembly code.
Biochem. J., 474, 2017
2LZQ
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BU of 2lzq by Molmil
Structure of NS2(32-57) GBVB protein
Descriptor: NS2 peptide
Authors:Montserret, R, Penin, F, Martin, A.
Deposit date:2012-10-08
Release date:2014-04-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NS2 Proteins of GB Virus B and Hepatitis C Virus Share Common Protease Activities and Membrane Topologies.
J.Virol., 88, 2014

238582

数据于2025-07-09公开中

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