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6XFU
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BU of 6xfu by Molmil
PmtCD peptide exporter basket domain
Descriptor: ABC transporter ATP-binding protein, THIOCYANATE ION
Authors:Zeytuni, N, Strynadka, N.C.J, Alexander, J.A.N.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
6XJH
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BU of 6xjh by Molmil
PmtCD ABC exporter without the basket domain at C2 symmetry
Descriptor: ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Zeytuni, N, Strynadka, N.J.C, Hu, J, Worrall, L.J, Chou, H, Yu, Z.
Deposit date:2020-06-23
Release date:2020-10-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
6XJI
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BU of 6xji by Molmil
PmtCD ABC exporter at C1 symmetry
Descriptor: ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Zeytuni, N, Strynadka, N.J.C, Hu, J, Worrall, L.J, Chou, H, Yu, Z.
Deposit date:2020-06-23
Release date:2020-10-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
3RAA
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BU of 3raa by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: ADENOSINE MONOPHOSPHATE, Capsid protein
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-27
Release date:2011-09-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3IAD
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BU of 3iad by Molmil
Crystal structure of human phosphodiesterase 4D with bound allosteric modulator
Descriptor: 1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Staker, B.L, Burgin Jr, A.B.
Deposit date:2009-07-13
Release date:2010-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
4XUA
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BU of 4xua by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue
Descriptor: 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
4XUB
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BU of 4xub by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe
Descriptor: 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
3JSU
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BU of 3jsu by Molmil
Quadruple mutant(N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase(PFDHFR-TS) complexed with QN254, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine, Dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Yuthavong, Y, Diagana, T.T.
Deposit date:2009-09-11
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate
Antimicrob.Agents Chemother., 54, 2010
6EZ8
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BU of 6ez8 by Molmil
Human Huntingtin-HAP40 complex structure
Descriptor: Factor VIII intron 22 protein, Huntingtin
Authors:Guo, Q, Bin, H, Cheng, J, Pfeifer, G, Baumeister, W, Fernandez-Busnadiego, R, Kochanek, S.
Deposit date:2017-11-14
Release date:2018-02-21
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The cryo-electron microscopy structure of huntingtin.
Nature, 555, 2018
4N0S
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BU of 4n0s by Molmil
Complex of ERK2 with caffeic acid
Descriptor: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2013-10-02
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7992 Å)
Cite:Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
6HIG
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BU of 6hig by Molmil
hPD-1/NBO1a Fab complex
Descriptor: Heavy Chain, Light Chain, Programmed cell death protein 1
Authors:Loredo-Varela, J.L, Fenwick, C, Pantaleo, G, Weissenhorn, W.
Deposit date:2018-08-29
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tumor suppression of novel anti-PD-1 antibodies mediated through CD28 costimulatory pathway.
J.Exp.Med., 216, 2019
5OMZ
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BU of 5omz by Molmil
Solution structure of domain III (DIII)of Zika virus Envelope protein
Descriptor: Envelope Protein
Authors:Zerbe, O, Bardelli, M.
Deposit date:2017-08-02
Release date:2017-10-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
1R63
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BU of 1r63 by Molmil
STRUCTURAL ROLE OF A BURIED SALT BRIDGE IN THE 434 REPRESSOR DNA-BINDING DOMAIN, NMR, 20 STRUCTURES
Descriptor: REPRESSOR PROTEIN FROM BACTERIOPHAGE 434
Authors:Pervushin, K.V, Billeter, M, Siegal, G, Wuthrich, K.
Deposit date:1996-11-08
Release date:1997-06-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural role of a buried salt bridge in the 434 repressor DNA-binding domain.
J.Mol.Biol., 264, 1996
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
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-11-18
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
3RA2
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BU of 3ra2 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: Capsid protein
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-26
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RA4
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BU of 3ra4 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: Capsid protein, DNA (5'-D(*CP*A)-3')
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-27
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
1BYX
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BU of 1byx by Molmil
CHIMERIC HYBRID DUPLEX R(GCAGUGGC).R(GCCA)D(CTGC) COMPRISING THE TRNA-DNA JUNCTION FORMED DURING INITIATION OF HIV-1 REVERSE TRANSCRIPTION
Descriptor: DNA/RNA (5'-R(*GP*CP*CP*A)-D(P*CP*TP*GP*C)-3'), RNA (5'-R(*GP*CP*AP*GP*UP*GP*GP*C)-3')
Authors:Szyperski, T, Goette, M, Billeter, M, Perola, E, Cellai, L.
Deposit date:1998-10-20
Release date:1999-10-20
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the chimeric hybrid duplex r(gcaguggc).r(gcca)d(CTGC) comprising the tRNA-DNA junction formed during initiation of HIV-1 reverse transcription.
J.Biomol.NMR, 13, 1999
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
4RVR
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BU of 4rvr by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-11-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
3RA9
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BU of 3ra9 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: Capsid protein, DNA (5'-D(P*CP*A)-3')
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-27
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RA8
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BU of 3ra8 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: ADENOSINE MONOPHOSPHATE, Capsid protein
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-27
Release date:2011-09-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
5DGN
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BU of 5dgn by Molmil
Crystal structure of human FPPS in complex with compound 13
Descriptor: 8-(naphthalen-1-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
4IR4
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BU of 4ir4 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR5
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BU of 4ir5 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016

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