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2ZT3
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BU of 2zt3 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSO
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BU of 2zso by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [450 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSY
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BU of 2zsy by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSN
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BU of 2zsn by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [300 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
3VZ8
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BU of 3vz8 by Molmil
Crystal Structure Analysis of the Mini-chaperonin variant with Leu 185, Val 186, Pro 187, Arg 188 and Ser 190 replaced with all Gly
Descriptor: 60 kDa chaperonin
Authors:Saijo, S, Sato, T.
Deposit date:2012-10-09
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding Energy(BE) from Crystal Packing of Mini-chaperones (mcpn) Provided Insights into the Allosteric Interaction of GroEL/ES Complex
To be Published
3VZ7
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BU of 3vz7 by Molmil
Crystal Structure Analysis of the mini-chaperonin variant with Pro 187 Gly
Descriptor: 60 kDa chaperonin
Authors:Saijo, S, Sato, T.
Deposit date:2012-10-09
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Energy(BE) from Crystal Packing of Mini-chaperones (mcpn) Provided Insights into the Allosteric Interaction of GroEL/ES Complex
To be Published
3VZ6
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BU of 3vz6 by Molmil
Crystal Structure Analysis of the Mini-chaperonines, variant with Gly 184 replaced with Ile and Leu 185 replaced Val and Val 186 replaced with Leu.
Descriptor: 60 kDa chaperonin
Authors:Saijo, S, Sato, T.
Deposit date:2012-10-09
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding Energy(BE) from Crystal Packing of Mini-chaperones (mcpn) Provided Insights into the Allosteric Interaction of GroEL/ES Complex
To be Published
3VJF
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BU of 3vjf by Molmil
Crystal structure of de novo 4-helix bundle protein WA20
Descriptor: POTASSIUM ION, WA20
Authors:Arai, R, Kimura, A, Kobayashi, N, Matsuo, K, Sato, T, Wang, A.F, Platt, J.M, Bradley, L.H, Hecht, M.H.
Deposit date:2011-10-18
Release date:2012-03-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Domain-swapped dimeric structure of a stable and functional de novo four-helix bundle protein, WA20
J.Phys.Chem.B, 116, 2012
6JUX
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BU of 6jux by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807
Descriptor: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
Authors:Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
Deposit date:2019-04-15
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Acs Omega, 5, 2020
3W4S
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BU of 3w4s by Molmil
Myo-inositol kinase from Thermococcus kodakarensis
Descriptor: Carbohydrate/pyrimidine kinase, PfkB family, IODIDE ION
Authors:Fujihashi, M, Miyamoto, Y, Miki, K.
Deposit date:2013-01-10
Release date:2017-02-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An uncharacterized member of the ribokinase family in Thermococcus kodakarensis exhibits myo-inositol kinase activity.
J.Biol.Chem., 288, 2013
6E3E
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BU of 6e3e by Molmil
Structure of RORgt in complex with a novel inverse agonist.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ...
Authors:Skene, R.J, Hoffman, I.
Deposit date:2018-07-13
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
6E3G
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BU of 6e3g by Molmil
Structure of RORgt in complex with a novel agonist.
Descriptor: (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ...
Authors:Skene, R.J, Hoffman, I.
Deposit date:2018-07-13
Release date:2019-06-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
Authors:Darmanin, C, Holmes, S, Abbey, B.
Deposit date:2022-02-03
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
8CXR
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BU of 8cxr by Molmil
Crystal structure of MraY bound to a sphaerimicin analogue
Descriptor: (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Mashalidis, E.H, Lee, S.Y.
Deposit date:2022-05-22
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Synthesis of macrocyclic nucleoside antibacterials and their interactions with MraY.
Nat Commun, 13, 2022
5XFD
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BU of 5xfd by Molmil
Serial femtosecond X-ray structure of Agrocybe cylindracea galectin with lactose solved by Se-SAD using XFEL (refined against 60,000 patterns)
Descriptor: Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Kuwabara, N, Fumiaki, Y, Kato, R.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
4XF6
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BU of 4xf6 by Molmil
myo-inositol 3-kinase bound with its products (ADP and 1D-myo-inositol 3-phosphate)
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2014-12-26
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structure and Product Analysis of an Archaeal myo-Inositol Kinase Reveal Substrate Recognition Mode and 3-OH Phosphorylation
Biochemistry, 54, 2015
4XF7
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BU of 4xf7 by Molmil
myo-inositol 3-kinase bound with its substrates (AMPPCP and myo-inositol)
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, Carbohydrate/pyrimidine kinase, PfkB family, ...
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2014-12-26
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure and Product Analysis of an Archaeal myo-Inositol Kinase Reveal Substrate Recognition Mode and 3-OH Phosphorylation
Biochemistry, 54, 2015
6GF6
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BU of 6gf6 by Molmil
Molecular basis of egg coat filament cross-linking: high-resolution structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
Authors:Nishimura, K, Jovine, L.
Deposit date:2018-04-29
Release date:2019-06-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF7
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BU of 6gf7 by Molmil
Molecular basis of egg coat filament cross-linking: Zn-SAD structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
Authors:Nishimura, K, Jovine, L.
Deposit date:2018-04-29
Release date:2019-06-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF8
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BU of 6gf8 by Molmil
Molecular basis of egg coat filament cross-linking: structure of the glycosylated ZP1 ZP-N1 domain homodimer
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nishimura, K, Jovine, L.
Deposit date:2018-04-29
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
5X0B
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BU of 5x0b by Molmil
Free serine kinase in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Free serine kinase
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2017-01-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
ACS Chem. Biol., 12, 2017
5X0E
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BU of 5x0e by Molmil
Free serine kinase (E30A mutant) in complex with phosphoserine and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Free serine kinase, MAGNESIUM ION, ...
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2017-01-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
ACS Chem. Biol., 12, 2017

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