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5O8A
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BU of 5o8a by Molmil
Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX
Descriptor: Green fluorescent protein
Authors:Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
Deposit date:2017-06-12
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O89
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BU of 5o89 by Molmil
Crystal Structure of rsEGFP2 in the fluorescent on-state determined by SFX
Descriptor: Green fluorescent protein
Authors:Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
Deposit date:2017-06-12
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O8C
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BU of 5o8c by Molmil
Composite structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state.
Descriptor: Green fluorescent protein
Authors:Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
Deposit date:2017-06-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
1BWC
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BU of 1bwc by Molmil
STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED with AJOENE INHIBITOR AND SUBVERSIVE SUBSTRATE
Descriptor: 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gallwitz, H, Bonse, S, Martinez-Cruz, A, Schlichting, I, Schumacher, K, Krauth-Siegel, R.L.
Deposit date:1998-09-23
Release date:1999-07-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ajoene is an inhibitor and subversive substrate of human glutathione reductase and Trypanosoma cruzi trypanothione reductase: crystallographic, kinetic, and spectroscopic studies.
J.Med.Chem., 42, 1999
5OER
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BU of 5oer by Molmil
Hen egg-white lysozyme refined against 5000 9 keV diffraction patterns
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C, ...
Authors:Gorel, A, Schlichting, I.
Deposit date:2017-07-09
Release date:2017-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability.
Nat Commun, 8, 2017
5HZH
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BU of 5hzh by Molmil
Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZI
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BU of 5hzi by Molmil
Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZJ
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BU of 5hzj by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZK
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BU of 5hzk by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
4CAS
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BU of 4cas by Molmil
Serial femtosecond crystallography structure of a photosynthetic reaction center
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R.
Deposit date:2013-10-09
Release date:2013-12-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
1A5S
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BU of 1a5s by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE
Descriptor: 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I.
Deposit date:1998-02-17
Release date:1999-03-30
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
1A6K
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BU of 1a6k by Molmil
AQUOMET-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Vojtechovsky, J, Berendzen, J, Chu, K, Schlichting, I, Sweet, R.M.
Deposit date:1998-02-26
Release date:1999-04-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
1A6M
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BU of 1a6m by Molmil
OXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-26
Release date:1999-04-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
1A50
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BU of 1a50 by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE
Descriptor: 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I.
Deposit date:1998-02-18
Release date:1999-03-30
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
1A6G
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BU of 1a6g by Molmil
CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-25
Release date:1998-10-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
1A6N
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BU of 1a6n by Molmil
DEOXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-26
Release date:1999-04-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
8A9E
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BU of 8a9e by Molmil
Lysozyme, 9-11 fs FEL pulses as determined by XTCAV
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme
Authors:Barends, T, Nass, K, Gorel, A, Schlichting, I.
Deposit date:2022-06-28
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Microcrystallization methods
To Be Published
8A9F
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BU of 8a9f by Molmil
Thaumatin, 9-11 fs FEL pulses as determined by XTCAV
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Barends, T, Nass, K, Gorel, A, Schlichting, I.
Deposit date:2022-06-28
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Microcrystallization paper
To Be Published
3PCQ
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BU of 3pcq by Molmil
Femtosecond X-ray protein Nanocrystallography
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H.
Deposit date:2010-10-21
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (8.984 Å)
Cite:Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
6ZH7
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BU of 6zh7 by Molmil
Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P.
Deposit date:2020-06-21
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
2TMK
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BU of 2tmk by Molmil
YEAST THYMIDYLATE KINASE COMPLEXED WITH 3'-AZIDO-3'-DEOXYTHYMIDINE MONOPHOSPHATE (AZT-MP)
Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, SULFATE ION, THYMIDYLATE KINASE
Authors:Lavie, A, Schlichting, I.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of thymidylate kinase reveals the cause behind the limiting step in AZT activation.
Nat.Struct.Biol., 4, 1997
8BKH
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BU of 8bkh by Molmil
Carboxymyoglobin dark state for comparison with power titration and 23 / 101 mJ/cm2 time series
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2022-11-09
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8BKN
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BU of 8bkn by Molmil
Carboxymyoglobin dark state for comparison with 5 mJ/cm2 time series
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2022-11-09
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
3MGX
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BU of 3mgx by Molmil
Crystal Structure of P450 OxyD that is involved in the Biosynthesis of Vancomycin-type Antibiotics
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450 monooxygenase
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2010-04-07
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of oxyd, a cytochrome p450 involved in {beta}-hydroxytyrosine formation in vancomycin biosynthesis
J.Biol.Chem., 285, 2010
3TEO
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BU of 3teo by Molmil
APO Form of carbon disulfide hydrolase (selenomethionine form)
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase
Authors:Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M.
Deposit date:2011-08-15
Release date:2011-10-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011

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