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8CCK
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BU of 8cck by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCJ
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BU of 8ccj by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with NADPH
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCM
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BU of 8ccm by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCL
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BU of 8ccl by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry A09
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
3RK3
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BU of 3rk3 by Molmil
Truncated SNARE complex with complexin
Descriptor: Complexin-1, SNAP25, Syntaxin 1a, ...
Authors:Kuemmel, D, Reinisch, K.M.
Deposit date:2011-04-17
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Complexin cross-links prefusion SNAREs into a zigzag array.
Nat.Struct.Mol.Biol., 18, 2011
3RL0
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BU of 3rl0 by Molmil
Truncated SNARE complex with complexin (P1)
Descriptor: Complexin-1, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Kuemmel, D, Reinisch, K.M.
Deposit date:2011-04-19
Release date:2011-07-27
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Complexin cross-links prefusion SNAREs into a zigzag array.
Nat.Struct.Mol.Biol., 18, 2011
3RK2
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BU of 3rk2 by Molmil
Truncated SNARE complex
Descriptor: CALCIUM ION, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Kuemmel, D, Reinisch, K.M.
Deposit date:2011-04-17
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complexin cross-links prefusion SNAREs into a zigzag array.
Nat.Struct.Mol.Biol., 18, 2011
7ZTY
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BU of 7zty by Molmil
Structure of Vps39 N-terminal domain from Chaetomium thermophilum
Descriptor: CNH domain-containing protein
Authors:Kiontke, S, Ungermann, C, Kuemmel, D.
Deposit date:2022-05-11
Release date:2022-09-21
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the HOPS tethering complex, a lysosomal membrane fusion machinery.
Elife, 11, 2022
7P9E
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BU of 7p9e by Molmil
Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain CS mutant
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
Authors:Fuesser, F, Kuemmel, D.
Deposit date:2021-07-27
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
8C7G
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BU of 8c7g by Molmil
Drosophila melanogaster Rab7 GEF complex Mon1-Ccz1-Bulli
Descriptor: Caffeine, calcium, zinc sensitivity 1, ...
Authors:Schaefer, J, Herrmann, E, Kuemmel, D, Moeller, A.
Deposit date:2023-01-15
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the metazoan Rab7 GEF complex Mon1-Ccz1-Bulli.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CPO
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BU of 8cpo by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A
Descriptor: PolB16 Intein Cys-less
Authors:Kattelmann, S, Pasch, T, Mootz, H.D, Kuemmel, D.
Deposit date:2023-03-03
Release date:2023-05-17
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
5LDD
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BU of 5ldd by Molmil
Crystal structure of the heterodimeric GEF Mon1-Ccz1 in complex with Ypt7
Descriptor: Ccz1, Mon1, Rab small monomeric GTPase-like protein, ...
Authors:Kiontke, S, Kuemmel, D.
Deposit date:2016-06-24
Release date:2017-01-18
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Architecture and mechanism of the late endosomal Rab7-like Ypt7 guanine nucleotide exchange factor complex Mon1-Ccz1.
Nat Commun, 8, 2017
7ZU0
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BU of 7zu0 by Molmil
HOPS tethering complex from yeast
Descriptor: E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar morphogenesis protein 6, ...
Authors:Shvarev, D, Schoppe, J, Koenig, C, Perz, A, Fuellbrunn, N, Kiontke, S, Langemeyer, L, Januliene, D, Schnelle, K, Kuemmel, D, Froehlich, F, Moeller, A, Ungermann, C.
Deposit date:2022-05-11
Release date:2022-09-28
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of the HOPS tethering complex, a lysosomal membrane fusion machinery.
Elife, 11, 2022
7P9D
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BU of 7p9d by Molmil
Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
Authors:Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D.
Deposit date:2021-07-27
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
6LTV
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BU of 6ltv by Molmil
Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine)
Descriptor: MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ...
Authors:Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D.
Deposit date:2020-01-23
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 60, 2021
6LTW
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BU of 6ltw by Molmil
Crystal structure of Apo form of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis
Descriptor: MAGNESIUM ION, PHOSPHATE ION, S-adenosylmethionine synthase
Authors:Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D.
Deposit date:2020-01-23
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZGQ
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BU of 6zgq by Molmil
AceL NrdHF class 3 split intein GSH linked splice inactive variant - C124A, N146A
Descriptor: AceL NrdHF-1-1 Intein, IODIDE ION
Authors:Hoffmann, S, Mootz, H.D, Kuemmel, D, Singh, R.
Deposit date:2020-06-19
Release date:2020-09-16
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biochemical and Structural Characterization of an Unusual and Naturally Split Class 3 Intein.
Chembiochem, 22, 2021
7A0M
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BU of 7a0m by Molmil
TSC1 N-terminal domain
Descriptor: SULFATE ION, TSC1 N-terminal domain
Authors:Zech, R, Kiontke, S, Kuemmel, D.
Deposit date:2020-08-10
Release date:2021-05-26
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
7A0N
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BU of 7a0n by Molmil
Structure of TSC1 NTD and linker domain
Descriptor: Uncharacterized protein,Uncharacterized protein
Authors:Fitzian, K, Kuemmel, D.
Deposit date:2020-08-10
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
7P82
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BU of 7p82 by Molmil
Crystal structure of apo form L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii
Descriptor: S-adenosylmethionine synthase
Authors:Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D.
Deposit date:2021-07-21
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.042 Å)
Cite:Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
7P8M
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BU of 7p8m by Molmil
Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with DMNB-SAM (4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine)
Descriptor: 4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine, MAGNESIUM ION, S-adenosylmethionine synthase, ...
Authors:Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D.
Deposit date:2021-07-23
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
7P84
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BU of 7p84 by Molmil
Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine)
Descriptor: MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ...
Authors:Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D.
Deposit date:2021-07-21
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
7P83
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BU of 7p83 by Molmil
Crystal structure of Apo form of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii
Descriptor: S-adenosylmethionine synthase
Authors:Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D.
Deposit date:2021-07-21
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.218 Å)
Cite:Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
7QLA
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BU of 7qla by Molmil
Structure of the Rab GEF complex Mon1-Ccz1
Descriptor: Ccz1, Vacuolar fusion protein MON1
Authors:Klink, B.U, Herrmann, E, Antoni, C, Langemeyer, L, Kiontke, S, Gatsogiannis, C, Ungermann, C, Raunser, S, Kuemmel, D.
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structure of the Mon1-Ccz1 complex reveals molecular basis of membrane binding for Rab7 activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8CCI
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BU of 8cci by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2023-07-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
Acta Crystallogr D Struct Biol, 79, 2023

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