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4DXB
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BU of 4dxb by Molmil
2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group
Descriptor: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
Authors:van den Akker, F, Ke, W.
Deposit date:2012-02-27
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
4DXC
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BU of 4dxc by Molmil
Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group
Descriptor: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
Authors:van den Akker, F, Ke, W.
Deposit date:2012-02-27
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
5XRW
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BU of 5xrw by Molmil
Crystal structure of flagellar motor switch complex from H. pylori
Descriptor: FliN, FliY
Authors:Xue, C, Lam, K.H, Au, S.W.N.
Deposit date:2017-06-10
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three SpoA-domain proteins interact in the creation of the flagellar type III secretion system inHelicobacter pylori.
J.Biol.Chem., 293, 2018
5XYW
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BU of 5xyw by Molmil
Crystal structure of drosophila simulans Rhino chromoshadow domain in complex with N-terminal domain
Descriptor: GD21652, Rhino
Authors:Yu, B.W, Huang, Y.
Deposit date:2017-07-10
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
5YA2
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BU of 5ya2 by Molmil
Crystal structure of LsrK-HPr complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Autoinducer-2 kinase, HEXANE-1,6-DIOL, ...
Authors:Ryu, K.S, Ha, J.H.
Deposit date:2017-08-30
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
5YA1
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BU of 5ya1 by Molmil
crystal structure of LsrK-HPr complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Autoinducer-2 kinase, HEXANE-1,6-DIOL, ...
Authors:Ryu, K.S, Ha, J.H.
Deposit date:2017-08-29
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
5XYV
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BU of 5xyv by Molmil
Crystal structure of drosophila melanogaster Rhino chromoshadow domain in complex with Deadlock N-terminal domain
Descriptor: Protein deadlock, RHINO
Authors:Yu, B.W, Huang, Y.
Deposit date:2017-07-10
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
5YA0
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BU of 5ya0 by Molmil
Crystal structure of LsrK and HPr complex
Descriptor: Autoinducer-2 kinase, HEXANE-1,6-DIOL, PHOSPHATE ION, ...
Authors:Ryu, K.S, Ha, J.H.
Deposit date:2017-08-29
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
5CZP
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BU of 5czp by Molmil
70S termination complex containing E. coli RF2
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Hoffer, E.D, Dunham, C.M.
Deposit date:2015-07-31
Release date:2016-10-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.29995918 Å)
Cite:Uniformity of Peptide Release Is Maintained by Methylation of Release Factors.
Cell Rep, 17, 2016
5DFE
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BU of 5dfe by Molmil
70S termination complex containing E. coli RF2
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Hoffer, E.D, Dunham, C.M.
Deposit date:2015-08-26
Release date:2016-10-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.09997559 Å)
Cite:Uniformity of Peptide Release Is Maintained by Methylation of Release Factors.
Cell Rep, 17, 2016
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
Descriptor: Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
Descriptor: CALCIUM ION, Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.286 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
6CBJ
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BU of 6cbj by Molmil
Crystal Structure of DH270.3 Fab in complex with Man9
Descriptor: DH270.3 Fab heavy chain, DH270.3 Fab light chain, PHOSPHATE ION, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2018-02-03
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:HIV envelope V3 region mimic embodies key features of a broadly neutralizing antibody lineage epitope.
Nat Commun, 9, 2018
6CSM
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BU of 6csm by Molmil
Crystal structure of the natural light-gated anion channel GtACR1
Descriptor: GtACR1, OLEIC ACID, RETINAL
Authors:Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
Deposit date:2018-03-21
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
6CBP
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BU of 6cbp by Molmil
Crystal structure of the single chain variable fragment of the DH270.6 bnAb in complex with the Man9-V3 glycopeptide
Descriptor: DH270.6 single chain variable fragment, Man9-V3 glycopeptide, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2018-02-03
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:HIV envelope V3 region mimic embodies key features of a broadly neutralizing antibody lineage epitope.
Nat Commun, 9, 2018
6P3B
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BU of 6p3b by Molmil
Crystal structure of the anti-HIV antibody DH501 unmutated common ancestor (UCA)
Descriptor: 1,2-ETHANEDIOL, DH501UCA Fab Heavy chain, DH501UCA Fab Light chain
Authors:Nicely, N.I, Saunders, K.O.
Deposit date:2019-05-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Cooperation between somatic mutation and germline-encoded residues enable antibody recognition of HIV-1 envelope glycans.
Plos Pathog., 15, 2019
2AV7
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BU of 2av7 by Molmil
Crystal structure of HTLV-1 TAX peptide Bound to Human Class I MHC HLA-A2 with the K66A mutation in the heavy chain.
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2005-08-29
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Unraveling a Hotspot for TCR Recognition on HLA-A2: Evidence Against the Existence of Peptide-independent TCR Binding Determinants.
J.Mol.Biol., 353, 2005
2AV1
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BU of 2av1 by Molmil
Crystal structure of HTLV-1 TAX peptide Bound to Human Class I MHC HLA-A2 with the E63Q and K66A mutations in the heavy chain.
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2005-08-29
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unraveling a Hotspot for TCR Recognition on HLA-A2: Evidence Against the Existence of Peptide-independent TCR Binding Determinants.
J.Mol.Biol., 353, 2005
6Q4O
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BU of 6q4o by Molmil
Fusidic acid bound AcrB_I27A
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, DARPIN, DECANE, ...
Authors:Tam, H.K, Pos, K.M.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
6Q4P
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BU of 6q4p by Molmil
Fusidic acid bound AcrB_N298A
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, ...
Authors:Tam, H.K, Pos, K.M.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
6Q4N
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BU of 6q4n by Molmil
Fusidic acid bound AcrB_V340A
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, DARPin, DECANE, ...
Authors:Tam, H.K, Pos, K.M.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
2CB3
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BU of 2cb3 by Molmil
Crystal structure of peptidoglycan recognition protein-LE in complex with tracheal cytotoxin (monomeric diaminopimelic acid-type peptidoglycan)
Descriptor: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, GLYCEROL, PEPTIDOGLYCAN-RECOGNITION PROTEIN-LE
Authors:Lim, J.-H, Kim, M.-S, Oh, B.-H.
Deposit date:2005-12-29
Release date:2006-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Preferential Recognition of Diaminopimelic Acid-Type Peptidoglycan by a Subset of Peptidoglycan Recognition Proteins
J.Biol.Chem., 281, 2006
4E90
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BU of 4e90 by Molmil
Human phosphodiesterase 9 in complex with inhibitors
Descriptor: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Liu, S.
Deposit date:2012-03-20
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
1I2Z
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BU of 1i2z by Molmil
E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
Descriptor: 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
1I30
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BU of 1i30 by Molmil
E. Coli Enoyl Reductase +NAD+SB385826
Descriptor: 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001

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