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7AM9
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BU of 7am9 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-10-08
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6YVK
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BU of 6yvk by Molmil
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 0.71 MGy exposure
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-28
Release date:2021-11-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6YVL
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BU of 6yvl by Molmil
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 1.42 MGy exposure
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-28
Release date:2021-11-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6YVM
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BU of 6yvm by Molmil
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.13 MGy exposure
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-28
Release date:2021-11-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6YVN
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BU of 6yvn by Molmil
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.84 MGy exposure
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-28
Release date:2021-11-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6YWT
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BU of 6ywt by Molmil
Human OMPD-domain of UMPS (K314AcK) in complex with 6-hydroxy-UMP at 1.05 Angstroms resolution
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, PROLINE, Uridine 5'-monophosphate synthase
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-30
Release date:2022-02-23
Last modified:2024-01-24
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
6YVO
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BU of 6yvo by Molmil
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 3.55 MGy exposure
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-28
Release date:2022-02-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6YWU
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BU of 6ywu by Molmil
Human OMPD-domain of UMPS (K314AcK) in complex with UMP at 1.1 Angstroms resolution
Descriptor: GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-04-30
Release date:2022-02-23
Last modified:2024-01-24
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
6ZWZ
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BU of 6zwz by Molmil
Resting state structure of the OMPD-domain of human UMPS variant (K314AcK) at 1.2 Angstroms resolution
Descriptor: SULFATE ION, Uridine 5'-monophosphate synthase
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX1
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BU of 6zx1 by Molmil
OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX0
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BU of 6zx0 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZWY
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BU of 6zwy by Molmil
OMPD-domain of human UMPS in complex with UMP at 1.0 Angstroms resolution
Descriptor: GLYCEROL, PROLINE, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Tittmann, K, Rindfleisch, S.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX2
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BU of 6zx2 by Molmil
OMPD-domain of human UMPS in complex with 6-carboxamido-UMP at 1.2 Angstroms resolution
Descriptor: PROLINE, SULFATE ION, Uridine 5'-monophosphate synthase, ...
Authors:Tittmann, K, Rindfleisch, S, Schimdt, T.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX3
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BU of 6zx3 by Molmil
OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution
Descriptor: GLYCEROL, PROLINE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Schimdt, T.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
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
3S1U
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BU of 3s1u by Molmil
Transaldolase from Thermoplasma acidophilum in complex with D-erythrose 4-phosphate
Descriptor: CHLORIDE ION, ERYTHOSE-4-PHOSPHATE, Probable transaldolase
Authors:Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K.
Deposit date:2011-05-16
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
4XZ9
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BU of 4xz9 by Molmil
Transaldolase variant E60Q/F132Y from T. acidophilum in complex with DHA Schiff base and G3P
Descriptor: 1,3-PROPANDIOL, ACETATE ION, GLYCEROL, ...
Authors:Sautner, V, Tittmann, K.
Deposit date:2015-02-04
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Converting Transaldolase into Aldolase through Swapping of the Multifunctional Acid-Base Catalyst: Common and Divergent Catalytic Principles in F6P Aldolase and Transaldolase.
Biochemistry, 54, 2015
7B0L
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BU of 7b0l by Molmil
Neisseria gonorrhoeae transaldolase, low-dose inhouse
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-11-20
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
3MOS
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BU of 3mos by Molmil
The structure of human Transketolase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Parthier, C, Tittmann, K.
Deposit date:2010-04-23
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of human transketolase and new insights into its mode of action.
J.Biol.Chem., 285, 2010
6Y4D
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BU of 6y4d by Molmil
Crystal structure of a short-chain dehydrogenase/reductase (SDR) from Zephyranthes treatiae in complex with NADP+
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain dehydrogenase/reductase (SDR)
Authors:Sautner, V, Steimle, S, Roth, S, Mueller, M, Tittmann, K.
Deposit date:2020-02-20
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crossing the Border: From Keto- to Imine Reduction in Short-Chain Dehydrogenases/Reductases.
Chembiochem, 21, 2020
5HHT
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BU of 5hht by Molmil
Crystal structure of E. coli transketolase triple variant Ser385Tyr/Asp469Thr/Arg520Gln
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Dai, S, Tittmann, K.
Deposit date:2016-01-11
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of an Evolved Transketolase Reveals Divergent Binding Modes.
Sci Rep, 6, 2016
4JQ9
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BU of 4jq9 by Molmil
Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
Descriptor: CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K.
Deposit date:2013-03-20
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
TO BE PUBLISHED
3OE1
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BU of 3oe1 by Molmil
Pyruvate decarboxylase variant Glu473Asp from Z. mobilis in complex with reaction intermediate 2-lactyl-ThDP
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, GLYCEROL, MAGNESIUM ION, ...
Authors:Meyer, D, Neumann, P, Parthier, C, Tittmann, K.
Deposit date:2010-08-12
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Double duty for a conserved glutamate in pyruvate decarboxylase: evidence of the participation in stereoelectronically controlled decarboxylation and in protonation of the nascent carbanion/enamine intermediate .
Biochemistry, 49, 2010
4ZP1
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BU of 4zp1 by Molmil
Crystal structure of Zymomonas mobilis pyruvate decarboxylase variant Glu473Ala
Descriptor: GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Wechsler, C, Neumann, P, Tittmann, K.
Deposit date:2015-05-07
Release date:2015-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Tuning and Switching Enantioselectivity of Asymmetric Carboligation in an Enzyme through Mutational Analysis of a Single Hot Spot.
Chembiochem, 16, 2015
7ZB7
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BU of 7zb7 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL
Authors:Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
Deposit date:2022-03-23
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
7ZB8
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BU of 7zb8 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
Deposit date:2022-03-23
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024

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PDB entries from 2024-09-18

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