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5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
Descriptor: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
6FXN
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BU of 6fxn by Molmil
Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab
Descriptor: Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain
Authors:Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P.
Deposit date:2018-03-09
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
5ULT
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BU of 5ult by Molmil
HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group)
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2017-01-25
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.
J. Med. Chem., 60, 2017
4ZH3
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BU of 4zh3 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.082 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
4ZH4
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BU of 4zh4 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18
Descriptor: 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.993 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
4ZH2
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BU of 4zh2 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBR703
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.204 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
4ZCH
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BU of 4zch by Molmil
Single-chain human APRIL-BAFF-BAFF Heterotrimer
Descriptor: TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B
Authors:Lammens, A, Jiang, X, Maskos, K, Schneider, P.
Deposit date:2015-04-16
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties.
J.Biol.Chem., 290, 2015
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
Authors:Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
5CXT
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BU of 5cxt by Molmil
Crystal structure of a RNA-binding protein 39 (RBM39) in complex with fragment of splicing factor (U2AF) from Unknown at 2.20 A resolution
Descriptor: RNA-binding protein 39, Splicing factor U2AF 65 kDa subunit
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2015-07-29
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:UHM-ULM interactions in the RBM39-U2AF65 splicing-factor complex.
Acta Crystallogr D Struct Biol, 72, 2016
3KK7
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BU of 3kk7 by Molmil
Crystal structure of Putative cell invasion protein with MAC/Perforin domain (NP_812351.1) from BACTERIODES THETAIOTAOMICRON VPI-5482 at 2.46 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-04
Release date:2009-11-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure of a membrane-attack complex/perforin (MACPF) family protein from the human gut symbiont Bacteroides thetaiotaomicron.
Acta Crystallogr.,Sect.F, 66, 2010
5V4Y
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BU of 5v4y by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-09510
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease
Authors:Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H.
Deposit date:2017-03-11
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:GRL-09510, a Unique P2-Crown-Tetrahydrofuranylurethane -Containing HIV-1 Protease Inhibitor, Maintains Its Favorable Antiviral Activity against Highly-Drug-Resistant HIV-1 Variants in vitro.
Sci Rep, 7, 2017
7ELJ
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BU of 7elj by Molmil
Prion Derived Tetrapeptide Stabilizes Thermolabile Insulin via Conformational Trapping
Descriptor: IS1, Insulin A Chain, Insulin B chain
Authors:Banerjee, N.
Deposit date:2021-04-11
Release date:2021-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Prion-derived tetrapeptide stabilizes thermolabile insulin via conformational trapping.
Iscience, 24, 2021
8SNZ
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BU of 8snz by Molmil
X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Ansari, A, Khan, S.A, Miller, A.F.
Deposit date:2023-04-28
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
3HSA
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BU of 3hsa by Molmil
Crystal structure of pleckstrin homology domain (YP_926556.1) from SHEWANELLA AMAZONENSIS SB2B at 1.99 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, pleckstrin homology domain
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-10
Release date:2009-06-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Bacterial pleckstrin homology domains: a prokaryotic origin for the PH domain.
J.Mol.Biol., 396, 2010
3H0N
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BU of 3h0n by Molmil
Crystal structure of a duf1470 family protein (jann_2411) from jannaschia sp. ccs1 at 1.45 A resolution
Descriptor: ACETATE ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-09
Release date:2009-04-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of Jann_2411 (DUF1470) from Jannaschia sp. at 1.45  resolution reveals a new fold (the ABATE domain) and suggests its possible role as a transcription regulator.
Acta Crystallogr.,Sect.F, 66, 2010
3HBZ
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BU of 3hbz by Molmil
Crystal structure of a putative glycoside hydrolase (bt_2081) from bacteroides thetaiotaomicron vpi-5482 at 2.05 A resolution
Descriptor: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Bacteroides thetaiotaomicron BT2081 at 2.05 A resolution: the first structural representative of a new protein family that may play a role in carbohydrate metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
3H41
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BU of 3h41 by Molmil
CRYSTAL STRUCTURE OF A NLPC/P60 FAMILY PROTEIN (BCE_2878) FROM BACILLUS CEREUS ATCC 10987 AT 1.79 A RESOLUTION
Descriptor: ALANINE, D-GLUTAMIC ACID, NLP/P60 family protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-17
Release date:2009-05-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of the gamma-D-glutamyl-L-diamino acid endopeptidase YkfC from Bacillus cereus in complex with L-Ala-[gamma]-D-Glu: insights into substrate recognition by NlpC/P60 cysteine peptidases
Acta Crystallogr.,Sect.F, 66, 2010
3NL9
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BU of 3nl9 by Molmil
Crystal structure of a putative NTP pyrophosphohydrolase (Exig_1061) from EXIGUOBACTERIUM SP. 255-15 at 1.78 A resolution
Descriptor: 1,2-ETHANEDIOL, putative NTP pyrophosphohydrolase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-21
Release date:2010-07-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of a putative NTP pyrophosphohydrolase: YP_001813558.1 from Exiguobacterium sibiricum 255-15.
Acta Crystallogr.,Sect.F, 66, 2010
4RBO
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BU of 4rbo by Molmil
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
Descriptor: 5'-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3', 5'-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3', Putative homeobox protein NANOGP8
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-09-12
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
2RA9
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BU of 2ra9 by Molmil
Crystal structure of a duf1285 family protein (sbal_2486) from shewanella baltica os155 at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, Uncharacterized protein DUF1285
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-09-14
Release date:2007-10-16
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of the first representatives of Pfam family PF06938 (DUF1285) reveal a new fold with repeated structural motifs and possible involvement in signal transduction.
Acta Crystallogr.,Sect.F, 66, 2010
2QTP
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BU of 2qtp by Molmil
Crystal structure of a duf1185 family protein (spo0826) from silicibacter pomeroyi dss-3 at 2.10 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-02
Release date:2007-08-21
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
2RE3
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BU of 2re3 by Molmil
CRYSTAL STRUCTURE OF a DUF1285 family protein (SPO_0140) FROM SILICIBACTER POMEROYI DSS-3 AT 2.50 A RESOLUTION
Descriptor: GLYCEROL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-09-25
Release date:2007-10-09
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the first representatives of Pfam family PF06938 (DUF1285) reveal a new fold with repeated structural motifs and possible involvement in signal transduction.
Acta Crystallogr.,Sect.F, 66, 2010
4QK4
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BU of 4qk4 by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution
Descriptor: (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-06-05
Release date:2014-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QJR
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BU of 4qjr by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution
Descriptor: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-06-04
Release date:2014-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014

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