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7YYX
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BU of 7yyx by Molmil
Molecular snapshots of drug release from tubulin: 100 nanoseconds after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ0
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BU of 7yz0 by Molmil
Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ3
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BU of 7yz3 by Molmil
Molecular snapshots of drug release from tubulin: Apo state
Descriptor: CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYY
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BU of 7yyy by Molmil
Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYQ
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BU of 7yyq by Molmil
Molecular snapshots of drug release from tubulin: Dark state
Descriptor: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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
3FL7
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BU of 3fl7 by Molmil
Crystal structure of the human ephrin A2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ephrin receptor, ...
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-18
Release date:2009-01-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
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
6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
Descriptor: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2019-12-02
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 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
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
5BY9
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BU of 5by9 by Molmil
The crystal structure of polyglycilated 14-3-3 protein from Giardia intestinalis
Descriptor: 14-3-3 protein
Authors:Fiorillo, A, Ilari, A, Lalle, M.
Deposit date:2015-06-10
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 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
4IR3
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BU of 4ir3 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-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 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR6
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BU of 4ir6 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)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 (1.8 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
7JYV
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BU of 7jyv by Molmil
Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
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
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
3N45
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BU of 3n45 by Molmil
Human FPPS complex with FBS_04 and zoledronic acid/MG2+
Descriptor: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
Authors:Rondeau, J.-M.
Deposit date:2010-05-21
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N5H
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BU of 3n5h by Molmil
Human fpps complex with NOV_304
Descriptor: 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-25
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N6K
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BU of 3n6k by Molmil
Human FPPS complex with NOV_823
Descriptor: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-26
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N5J
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BU of 3n5j by Molmil
Human fpps complex with NOV_311
Descriptor: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-25
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N1W
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BU of 3n1w by Molmil
Human FPPS COMPLEX WITH FBS_02
Descriptor: (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-17
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010

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