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4TNI
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BU of 4tni by Molmil
RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNK
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BU of 4tnk by Molmil
RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.900007 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNL
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BU of 4tnl by Molmil
1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
Authors:Adams, R, Lawson, A.D.G.
Deposit date:2024-01-31
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition
J Invest Dermatol., 2024
2QXS
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BU of 2qxs by Molmil
Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene
Descriptor: Estrogen receptor, RALOXIFENE
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-12
Release date:2008-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
2QZO
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BU of 2qzo by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
5H31
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BU of 5h31 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
Descriptor: Caspase-8
Authors:Shen, C, Pei, J, Guo, X, Quan, J.
Deposit date:2016-10-19
Release date:2017-10-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.16953516 Å)
Cite:Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
5HLL
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BU of 5hll by Molmil
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5I6U
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BU of 5i6u by Molmil
The crystal structure of PI3Kdelta with compound 32
Descriptor: 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Somoza, J.R, Villasenor, A.G.
Deposit date:2016-02-16
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:The crystal structure of PI3Kdelta with compound 32
To Be Published
5JJ1
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BU of 5jj1 by Molmil
Structure of the Immature Procapsid Conformation of P22 Portal Protein
Descriptor: Portal protein
Authors:Lokareddy, R.K, Cingolani, G.
Deposit date:2016-04-22
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
5JJ3
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BU of 5jj3 by Molmil
Refined Structure of the Mature Virion Conformation of P22 Portal Protein
Descriptor: Portal protein
Authors:Lokareddy, R.K, Sankhala, R.S, Cingolani, G.
Deposit date:2016-04-22
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (7 Å)
Cite:Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
7KWO
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BU of 7kwo by Molmil
rFVIIIFc-VWF-XTEN (BIVV001)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
Authors:Fuller, J.R, Batchelor, J.D.
Deposit date:2020-12-01
Release date:2021-03-03
Last modified:2021-06-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy.
Blood, 137, 2021
5V74
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BU of 5v74 by Molmil
Structure of the intact Haliangium ochraceum microcompartment shell
Descriptor: Ethanolamine utilization protein EutN/carboxysome structural protein Ccml, Microcompartments protein
Authors:Sutter, M, Kerfeld, C.A.
Deposit date:2017-03-17
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.51015472 Å)
Cite:Assembly principles and structure of a 6.5-MDa bacterial microcompartment shell.
Science, 356, 2017
5WO1
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BU of 5wo1 by Molmil
Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled)
Descriptor: CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5WO2
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BU of 5wo2 by Molmil
Chaperone Spy bound to Casein Fragment (Casein un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5MJL
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BU of 5mjl by Molmil
Single-shot pink beam serial crystallography: Proteinase K
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.21013784 Å)
Cite:Pink-beam serial crystallography.
Nat Commun, 8, 2017
5MJG
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BU of 5mjg by Molmil
Single-shot pink beam serial crystallography: Thaumatin
Descriptor: S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-shot pink beam serial crystallography: Thaumatin
To Be Published
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHG
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BU of 6dhg by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHO
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BU of 6dho by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6E5G
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BU of 6e5g by Molmil
Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
Descriptor: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2018-07-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
6EYC
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BU of 6eyc by Molmil
Re-refinement of the MCM2-7 double hexamer using ISOLDE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
Authors:Croll, T.I.
Deposit date:2017-11-11
Release date:2018-06-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps.
Acta Crystallogr D Struct Biol, 74, 2018
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
Descriptor: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019

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