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PDB: 287 results

7ODO
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BU of 7odo by Molmil
Neisseria gonorrhoeae transaldolase at 0.27 MGy dose
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-04-30
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7ODQ
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BU of 7odq by Molmil
Neisseria gonorrhoeae transaldolase at 5.4 MGy dose
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-04-30
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7ODP
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BU of 7odp by Molmil
Neisseria gonorrhoeae transaldolase at 2.7 MGy dose
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-04-30
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7OEY
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BU of 7oey by Molmil
Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution
Descriptor: GLYCEROL, SODIUM ION, SUCCINIC ACID, ...
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
2WWZ
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BU of 2wwz by Molmil
TAB2 NZF DOMAIN IN COMPLEX WITH Lys63-linked di-ubiquitin, P212121
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7-INTERACTING PROTEIN 2, UBIQUITIN, ZINC ION
Authors:Kulathu, Y, Akutsu, M, Bremm, A, Hofmann, K, Komander, D.
Deposit date:2009-10-30
Release date:2009-11-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Two-Sided Ubiquitin Binding Explains Specificity of the Tab2 Nzf Domain
Nat.Struct.Mol.Biol., 16, 2009
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:2024-01-31
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
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
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
5IDP
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BU of 5idp by Molmil
CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone
Descriptor: (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
Deposit date:2016-02-24
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
8CMR
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BU of 8cmr by Molmil
Linear specific OTU-type DUB SnOTU from the pathogen S. negenvensis in complex with linear di-ubiquitin
Descriptor: OTU domain-containing protein, Polyubiquitin-B
Authors:Uthoff, M, Hermanns, T, Boll, V, Hofmann, K, Baumann, U.
Deposit date:2023-02-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Functional and structural diversity in deubiquitinases of the Chlamydia-like bacterium Simkania negevensis.
Nat Commun, 14, 2023
2WX1
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BU of 2wx1 by Molmil
TAB2 NZF DOMAIN IN COMPLEX WITH Lys63-linked tri-ubiquitin, P212121
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7-INTERACTING PROTEIN 2, UBIQUITIN, ZINC ION
Authors:Kulathu, Y, Akutsu, M, Bremm, A, Hofmann, K, Komander, D.
Deposit date:2009-10-30
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two-Sided Ubiquitin Binding Explains Specificity of the Tab2 Nzf Domain
Nat.Struct.Mol.Biol., 16, 2009
7BBX
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BU of 7bbx by Molmil
Neisseria gonorrhoeae transaldolase, variant K8A
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
7BBW
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BU of 7bbw by Molmil
Neisseria gonorrhoeae transaldolase, variant C38S
Descriptor: GLYCEROL, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
1DAU
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BU of 1dau by Molmil
Analog of dickerson-drew DNA dodecamer with 6'-alpha-methyl carbocyclic thymidines, NMR, minimized average structure
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*(T32)P*(T32)P*CP*GP*CP*G)-3')
Authors:Denisov, A, Bekiroglu, S, Maltseva, T, Sandstrom, A, Altmann, K.-H, Egli, M, Chattopadhyaya, J.
Deposit date:1998-01-21
Release date:1998-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution conformation of a carbocyclic analog of the Dickerson-Drew dodecamer: comparison with its own X-ray structure and that of the NMR structure of the native counterpart.
J.Biomol.Struct.Dyn., 16, 1998
5LF4
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BU of 5lf4 by Molmil
Human 20S proteasome complex with Delanzomib at 2.0 Angstrom
Descriptor: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LEY
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BU of 5ley by Molmil
Human 20S proteasome complex with Oprozomib at 1.9 Angstrom
Descriptor: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6QTN
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BU of 6qtn by Molmil
Tubulin-cyclostreptin complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Balaguer, F.d.A, Muehlethaler, T, Estevez-Gallego, J, Calvo, E, Gimenez-Abian, J.F, Risinger, A.L, Sorensen, E.J, Vanderwal, C.D, Altmann, K.-H, Mooberry, S.L, Steinmetz, M.O, Oliva, M.A, Prota, A.E, Diaz, J.F.
Deposit date:2019-02-25
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Cyclostreptin-Tubulin Adduct: Implications for Tubulin Activation by Taxane-Site Ligands.
Int J Mol Sci, 20, 2019
5LF0
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BU of 5lf0 by Molmil
Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom
Descriptor: CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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
5HNB
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BU of 5hnb by Molmil
CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone
Descriptor: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Musil, D, Blagg, J, Schiemann, K.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone
To Be Published
5LF6
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BU of 5lf6 by Molmil
Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom
Descriptor: CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF7
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BU of 5lf7 by Molmil
Human 20S proteasome complex with Ixazomib at 2.0 Angstrom
Descriptor: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6RJC
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BU of 6rjc by Molmil
E.coli transketolase apoenzyme
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2019-04-26
Release date:2019-09-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
6HA3
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BU of 6ha3 by Molmil
Human transketolase variant E160Q in covalent complex with donor ketose D-fructose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ...
Authors:Dai, S, Sautner, V, Tittmann, K.
Deposit date:2018-08-07
Release date:2019-08-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
5LEX
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BU of 5lex by Molmil
Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom
Descriptor: MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016

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