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5XX8
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BU of 5xx8 by Molmil
Hetero-micro-seeding: Crystal structure of BPTI-[555]C14GA38I variant using micro-seeds from -C14GA38L variant
Descriptor: Pancreatic trypsin inhibitor, SULFATE ION
Authors:Islam, M.M.
Deposit date:2017-07-01
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A hetero-micro-seeding strategy for readily crystallizing closely related protein variants
Biochem. Biophys. Res. Commun., 493, 2017
5XOK
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BU of 5xok by Molmil
Thanatin Y10M21AA in complex with LPS
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharjya, S.
Deposit date:2017-05-29
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin Y10M21AA in complex with LPS
To Be Published
4RJI
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BU of 4rji by Molmil
Acetolactate synthase from Bacillus subtilis bound to ThDP - crystal form I
Descriptor: Acetolactate synthase, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Sommer, B, von Moeller, H, Haack, M, Qoura, F, Langner, C, Bourenkov, G, Garbe, D, Brueck, T, Loll, B.
Deposit date:2014-10-09
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase.
Chembiochem, 16, 2015
5XO9
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BU of 5xo9 by Molmil
Thanatin in presence of LPS
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharjya, S.
Deposit date:2017-05-27
Release date:2018-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin in presence of LPS
To Be Published
5XOL
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BU of 5xol by Molmil
Thanatin R13R14AA in complex with LPS
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharjya, S.
Deposit date:2017-05-29
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin R13R14AA in complex with LPS
To Be Published
5XQV
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BU of 5xqv by Molmil
Crystal structure of Notched-fin eelpout type III antifreeze protein A20L mutant (NFE6, AFP), P21 form
Descriptor: Ice-structuring protein
Authors:Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S.
Deposit date:2017-06-07
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XR0
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BU of 5xr0 by Molmil
Crystal structure of Notched-fin eelpout type III antifreeze protein A20T mutant (NFE6, AFP), P21 form
Descriptor: Ice-structuring protein
Authors:Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S.
Deposit date:2017-06-07
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XTT
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BU of 5xtt by Molmil
Crystal structure of RmMan134A-M3 complex
Descriptor: beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a novel glycoside hydrolase family 134 beta-mannanase.
Biochim Biophys Acta Gen Subj, 1862, 2018
5XVK
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BU of 5xvk by Molmil
Crystal structure of mouse Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA)
Descriptor: 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase, ...
Authors:Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R.
Deposit date:2017-06-28
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide
Biochem. Biophys. Res. Commun., 491, 2017
5XWM
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BU of 5xwm by Molmil
human ERp44 zinc-bound form
Descriptor: CHLORIDE ION, Endoplasmic reticulum resident protein 44, ZINC ION
Authors:Watanabe, S, Harayama, M, Inaba, K.
Deposit date:2017-06-30
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Zinc regulates ERp44-dependent protein quality control in the early secretory pathway.
Nat Commun, 10, 2019
4RSI
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BU of 4rsi by Molmil
Yeast Smc2-Smc4 hinge domain with extended coiled coils
Descriptor: PHOSPHATE ION, Structural maintenance of chromosomes protein 2, Structural maintenance of chromosomes protein 4
Authors:Soh, Y.M, Shin, H.C, Oh, B.H.
Deposit date:2014-11-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Basis for SMC Rod Formation and Its Dissolution upon DNA Binding.
Mol.Cell, 57, 2015
7NS9
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BU of 7ns9 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and calcium
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-03-05
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
5XX6
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BU of 5xx6 by Molmil
Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38G variant
Descriptor: Pancreatic trypsin inhibitor, SULFATE ION
Authors:Islam, M.M.
Deposit date:2017-07-01
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A hetero-micro-seeding strategy for readily crystallizing closely related protein variants
Biochem. Biophys. Res. Commun., 493, 2017
7OH4
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BU of 7oh4 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7O3P
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BU of 7o3p by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116
Descriptor: 14-3-3 protein sigma, 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-02
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7OH7
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BU of 7oh7 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7O57
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BU of 7o57 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157
Descriptor: 14-3-3 protein sigma, 3-morpholin-4-yl-4-nitro-benzaldehyde, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5D
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BU of 7o5d by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
5XX7
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BU of 5xx7 by Molmil
Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38I variant
Descriptor: Pancreatic trypsin inhibitor, SULFATE ION
Authors:Islam, M.M.
Deposit date:2017-07-01
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A hetero-micro-seeding strategy for readily crystallizing closely related protein variants
Biochem. Biophys. Res. Commun., 493, 2017
7O5U
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BU of 7o5u by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-09
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O6K
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BU of 7o6k by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080
Descriptor: (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate, 14-3-3 protein sigma, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-11
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NXY
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BU of 7nxy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181
Descriptor: 14-3-3 protein sigma, 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-03-19
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7OH6
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BU of 7oh6 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7O3S
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BU of 7o3s by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045
Descriptor: 14-3-3 protein sigma, 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-02
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5S
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BU of 7o5s by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-09
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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