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6YC3
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BU of 6yc3 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6SUM
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BU of 6sum by Molmil
Amicoumacin kinase hAmiN in complex with AMP-PNP, MG2+ and Ami
Descriptor: ACETATE ION, AMICOUMACIN KINASE, Amicoumacin A, ...
Authors:Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
Deposit date:2019-09-16
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
6SUL
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BU of 6sul by Molmil
Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami
Descriptor: Amicoumacin A, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
Deposit date:2019-09-15
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
6YC4
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BU of 6yc4 by Molmil
Crystal structure of the steady-state activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YBY
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BU of 6yby by Molmil
Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.6
Descriptor: EICOSANE, RETINAL, SODIUM ION, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC1
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BU of 6yc1 by Molmil
Crystal structure of the H30A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC0
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BU of 6yc0 by Molmil
Crystal structure of the steady-state-SMX activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC2
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BU of 6yc2 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6SUI
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BU of 6sui by Molmil
AMICOUMACIN KINASE AMIN
Descriptor: PENTAETHYLENE GLYCOL, Phosphotransferase enzyme family protein
Authors:Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
Deposit date:2019-09-14
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
6SUN
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BU of 6sun by Molmil
Amicoumacin kinase hAmiN in complex with AMP-PNP, Ca2+ and Ami
Descriptor: APH domain-containing protein, amicoumacin kinase, Amicoumacin A, ...
Authors:Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
Deposit date:2019-09-16
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
6SV5
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BU of 6sv5 by Molmil
Amicoumacin kinase AmiN in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphotransferase enzyme family protein, amicoumacin kinase
Authors:Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
Deposit date:2019-09-17
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
7OQM
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BU of 7oqm by Molmil
Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2021-06-03
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OQN
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BU of 7oqn by Molmil
Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 30 minutes soaking
Descriptor: GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2021-06-03
Release date:2022-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OUZ
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BU of 7ouz by Molmil
Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.9 Angstroms resolution, crystal 1
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, PROLINE, ...
Authors:Rindfleisch, S, Tittmann, K.
Deposit date:2021-06-14
Release date:2022-04-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OV0
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BU of 7ov0 by Molmil
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 0.95 Angstrom resolution
Descriptor: GLYCEROL, PROLINE, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F.
Deposit date:2021-06-14
Release date:2022-04-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OQF
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BU of 7oqf by Molmil
Human OMPD-domain of UMPS in complex with OMP at 1.05 Angstrom resolution, 5 minutes soaking
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2021-06-03
Release date:2022-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OQI
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BU of 7oqi by Molmil
Human OMPD-domain of UMPS in complex with substrate OMP at 1.15 Angstrom resolution, 10 minutes soaking
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2021-06-03
Release date:2022-04-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OQK
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BU of 7oqk by Molmil
Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 15 minutes soaking
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2021-06-03
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7OTU
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BU of 7otu by Molmil
Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Isoform 2 of Uridine 5'-monophosphate synthase
Authors:Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2021-06-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
2NAP
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BU of 2nap by Molmil
DISSIMILATORY NITRATE REDUCTASE (NAP) FROM DESULFOVIBRIO DESULFURICANS
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Dias, J.M, Than, M, Humm, A, Huber, R, Bourenkov, G, Bartunik, H, Bursakov, S, Calvete, J, Caldeira, J, Carneiro, C, Moura, J, Moura, I, Romao, M.J.
Deposit date:1998-09-18
Release date:1999-09-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the first dissimilatory nitrate reductase at 1.9 A solved by MAD methods.
Structure Fold.Des., 7, 1999
7Q1H
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BU of 7q1h by Molmil
Variant D312N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP at 1.31 Angstrom resolution
Descriptor: OROTIDINE-5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
Authors:Rabe von Pappenheim, F, Kirck, L.L.
Deposit date:2021-10-20
Release date:2022-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7AQE
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BU of 7aqe by Molmil
Structure of SARS-CoV-2 Main Protease bound to UNC-2327
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P, Meents, A.
Deposit date:2020-10-21
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4U4M
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BU of 4u4m by Molmil
Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
Descriptor: 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ...
Authors:Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-07-24
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
To be published
1VFB
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BU of 1vfb by Molmil
BOUND WATER MOLECULES AND CONFORMATIONAL STABILIZATION HELP MEDIATE AN ANTIGEN-ANTIBODY ASSOCIATION
Descriptor: HEN EGG WHITE LYSOZYME, IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN)
Authors:Bhat, T.N, Poljak, R.J.
Deposit date:1993-12-03
Release date:1994-05-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bound water molecules and conformational stabilization help mediate an antigen-antibody association.
Proc.Natl.Acad.Sci.USA, 91, 1994
1VFA
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BU of 1vfa by Molmil
BOUND WATER MOLECULES AND CONFORMATIONAL STABILIZATION HELP MEDIATE AN ANTIGEN-ANTIBODY ASSOCIATION
Descriptor: IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN)
Authors:Bhat, T.N, Poljak, R.J.
Deposit date:1993-12-03
Release date:1994-05-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bound water molecules and conformational stabilization help mediate an antigen-antibody association.
Proc.Natl.Acad.Sci.USA, 91, 1994

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