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6HQQ
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BU of 6hqq by Molmil
Crystal structure of GcoA F169A bound to syringol
Descriptor: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6MCU
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BU of 6mcu by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
Descriptor: GLYCEROL, RETINAL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-02
Release date:2019-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.572 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
8QWZ
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BU of 8qwz by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
Descriptor: 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-20
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
6LL3
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BU of 6ll3 by Molmil
Crystal structure of lysozyme by fixed-target serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Nam, K.H.
Deposit date:2019-12-21
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of lysozyme by fixed-target serial femtosecond crystallography
To Be Published
6VD3
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BU of 6vd3 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate 4-bromophenol
Descriptor: 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-12-23
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6HU5
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BU of 6hu5 by Molmil
STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Garau, G.
Deposit date:2018-10-05
Release date:2019-01-23
Last modified:2024-11-13
Method:ELECTRON CRYSTALLOGRAPHY (2.8 Å)
Cite:Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme.
Iucrj, 6, 2019
8R8F
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BU of 8r8f by Molmil
Ensemble-refined carboxymyoglobin photolysis power titration, 6 mJ/cm2
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-29
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8R90
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BU of 8r90 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 5 mJ/cm2 laser fluence, 604 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-30
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
5J07
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BU of 5j07 by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2
Descriptor: Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:2016-03-27
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
8R9H
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BU of 8r9h by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 23 mJ/cm2 laser fluence, 661 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-30
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
5J0C
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BU of 5j0c by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3
Descriptor: Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:2016-03-28
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
8RA3
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BU of 8ra3 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 462 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
6HVD
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BU of 6hvd by Molmil
Human SLK bound to a maleimide inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ...
Authors:Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M.
Deposit date:2018-10-10
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Human SLK bound to a maleimide inhibitor
To Be Published
7B33
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BU of 7b33 by Molmil
MST3 in complex with MRIA11
Descriptor: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
5J1V
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BU of 5j1v by Molmil
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
Descriptor: Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-03-29
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
8R8Z
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BU of 8r8z by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 5 mJ/cm2 laser fluence, 471 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-30
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8QWY
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BU of 8qwy by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid
Descriptor: 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-20
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
7AHN
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BU of 7ahn by Molmil
Cryo-EM structure of F-actin stabilized by cis-optoJASP-8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Pospich, S, Raunser, S.
Deposit date:2020-09-24
Release date:2021-01-27
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States.
Angew.Chem.Int.Ed.Engl., 60, 2021
8R9F
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BU of 8r9f by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 23 mJ/cm2 laser fluence, 537 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-30
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA1
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BU of 8ra1 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 312 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
5J2S
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BU of 5j2s by Molmil
NKR-P1B from Rattus norvegicus
Descriptor: Killer cell lectin-like receptor subfamily B member 1B allele A, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Skalova, T, Vanek, O, Blaha, J, Duskova, J, Hasek, J, Koval, T, Dohnalek, J.
Deposit date:2016-03-30
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of NKR-P1B from Rattus norvegicus
To Be Published
6HXU
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BU of 6hxu by Molmil
Crystal structure of Human RHOB Q63L in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho-related GTP-binding protein RhoB
Authors:Soulie, S, Gence, R, Cabantous, S, Lajoie-Mazenc, I, Favre, G, Pedelacq, J.D.
Deposit date:2018-10-18
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation.
Cell Chem Biol, 26, 2019
8R94
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BU of 8r94 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 5 mJ/cm2 laser fluence, 1001 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-30
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8R9L
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BU of 8r9l by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 23 mJ/cm2 laser fluence, 1036 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-11-30
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RAA
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BU of 8raa by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 1023 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024

229564

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