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5LGE
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BU of 5lge by Molmil
Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032
Descriptor: 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ...
Authors:Hillig, R.C, Hars, U, Korndoerfer, I.P.
Deposit date:2016-07-07
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
8ONK
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BU of 8onk by Molmil
Human insulin in complex with the analytical antibody S1 Fab and the analytical antibody HUI-001 Fab
Descriptor: Heavy chain of analytical antibody HUI-001 Fab, Heavy chain of analytical antibody S1 Fab, Insulin A chain, ...
Authors:Johansson, E.
Deposit date:2023-04-03
Release date:2024-04-10
Method:X-RAY DIFFRACTION (3.403 Å)
Cite:Macromolecular structure of insulin and IgE clonality impacts IgE-mediated activation of sensitized basophils
To Be Published
8ONI
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BU of 8oni by Molmil
Human insulin in complex with the analytical antibody S1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of analytical antibody S1 Fab, Insulin A chain, ...
Authors:Johansson, E.
Deposit date:2023-04-03
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Macromolecular structure of insulin and IgE clonality impacts IgE-mediated activation of sensitized basophils
To Be Published
1J9M
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BU of 1j9m by Molmil
K38H mutant of Streptomyces K15 DD-transpeptidase
Descriptor: CHLORIDE ION, DD-transpeptidase, SODIUM ION
Authors:Fonze, E, Rhazi, N, Nguyen-Disteche, M, Charlier, P.
Deposit date:2001-05-28
Release date:2001-06-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
1KMN
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BU of 1kmn by Molmil
HISTIDYL-TRNA SYNTHETASE COMPLEXED WITH HISTIDINOL AND ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, HISTIDYL-TRNA SYNTHETASE, L-histidinol
Authors:Arnez, J.G, Francklyn, C.S, Moras, D.
Deposit date:1997-05-09
Release date:1997-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The first step of aminoacylation at the atomic level in histidyl-tRNA synthetase.
Proc.Natl.Acad.Sci.USA, 94, 1997
1KMM
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BU of 1kmm by Molmil
HISTIDYL-TRNA SYNTHETASE COMPLEXED WITH HISTIDYL-ADENYLATE
Descriptor: HISTIDYL-ADENOSINE MONOPHOSPHATE, HISTIDYL-TRNA SYNTHETASE
Authors:Arnez, J.G, Francklyn, C.S, Moras, D.
Deposit date:1997-05-09
Release date:1997-12-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The first step of aminoacylation at the atomic level in histidyl-tRNA synthetase.
Proc.Natl.Acad.Sci.USA, 94, 1997
8B0R
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BU of 8b0r by Molmil
Structure of the CalpL/cA4 complex
Descriptor: Cyclic tetraadenosine monophosphate (cA4), SMODS-associated and fused to various effectors domain-containing protein, SULFATE ION, ...
Authors:Schneberger, N, Hagelueken, G.
Deposit date:2022-09-08
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
8B0U
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BU of 8b0u by Molmil
Structure of the CalpL/T10 complex
Descriptor: CalpT10, GLYCEROL, SAVED domain-containing protein, ...
Authors:Schneberger, N, Hagelueken, G.
Deposit date:2022-09-08
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
8QJK
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BU of 8qjk by Molmil
Structure of the cytoplasmic domain of csx23 from Vibrio cholera in complex with cyclic tetra-adenylate (cA4)
Descriptor: ACETYL GROUP, Cyclic tetraadenosine monophosphate (cA4), SODIUM ION, ...
Authors:McMahon, S.A, McQuarrie, S, Gloster, T.M, Gruschow, S, White, M.F.
Deposit date:2023-09-13
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:A cyclic-nucleotide binding membrane protein provides CRISPR-mediated antiphage defence in Vibrio cholera
To Be Published
1SKF
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BU of 1skf by Molmil
CRYSTAL STRUCTURE OF THE STREPTOMYCES K15 DD-TRANSPEPTIDASE
Descriptor: D-ALANYL-D-ALANINE TRANSPEPTIDASE
Authors:Fonze, E, Charlier, P.
Deposit date:1998-08-20
Release date:1999-08-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of a penicilloyl-serine transferase of intermediate penicillin sensitivity. The DD-transpeptidase of streptomyces K15.
J.Biol.Chem., 274, 1999
1ES3
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BU of 1es3 by Molmil
C98A mutant of streptomyces K15 DD-transpeptidase
Descriptor: DD-TRANSPEPTIDASE, SODIUM ION
Authors:Fonze, E, Charlier, P.
Deposit date:2000-04-07
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
1ES4
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BU of 1es4 by Molmil
C98N mutant of streptomyces K15 DD-transpeptidase
Descriptor: DD-TRANSPEPTIDASE
Authors:Fonze, E, Charlier, P.
Deposit date:2000-04-07
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
1ES5
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BU of 1es5 by Molmil
S216A MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE
Descriptor: DD-TRANSPEPTIDASE
Authors:Fonze, E, Charlier, P.
Deposit date:2000-04-07
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DD-TRANSPEPTIDASE
To be Published
5O6C
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BU of 5o6c by Molmil
Crystal Structure of a threonine-selective RCR E3 ligase
Descriptor: E3 ubiquitin-protein ligase MYCBP2, ZINC ION
Authors:Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S.
Deposit date:2017-06-06
Release date:2018-04-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity.
Nature, 556, 2018
1ES2
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BU of 1es2 by Molmil
S96A mutant of streptomyces K15 DD-transpeptidase
Descriptor: DD-TRANSPEPTIDASE
Authors:Fonze, E, Charlier, P.
Deposit date:2000-04-07
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
6NYT
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BU of 6nyt by Molmil
Munc13-1 C2B-domain, calcium bound
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-12
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
6NYC
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BU of 6nyc by Molmil
Munc13-1 C2B-domain, calcium free
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Munc13-1
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-11
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
1ESI
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BU of 1esi by Molmil
R248L MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE
Descriptor: DD-TRANSPEPTIDASE
Authors:Fonze, E, Charlier, P.
Deposit date:2000-04-10
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DD-TRANSPEPTIDASE
To be Published
1DIL
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BU of 1dil by Molmil
SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH APANA AND EPANA INHIBITORS
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, ...
Authors:Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L.
Deposit date:1996-04-23
Release date:1996-12-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
1DP7
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BU of 1dp7 by Molmil
COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), ...
Authors:Gajiwala, K.S, Chen, H, Cornille, F, Roques, B.P, Reith, W, Mach, B, Burley, S.K.
Deposit date:1999-12-23
Release date:2000-03-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding.
Nature, 403, 2000
1GPU
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BU of 1gpu by Molmil
Transketolase complex with reaction intermediate
Descriptor: 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE 1
Authors:Fiedler, E, Thorell, S, Sandalova, T, Koenig, S, Schneider, G.
Deposit date:2001-11-09
Release date:2002-02-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Snapshot of a Key Intermediate in Enzymatic Thiamin Catalysis: Crystal Structure of the Alpha-Carbanion of (Alpha,Beta-Dihydroxyethyl)-Thiamin Diphosphate in the Active Site of Transketolase from Saccharomyces Cerevisiae.
Proc.Natl.Acad.Sci.USA, 99, 2002
1DIM
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BU of 1dim by Molmil
SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, SIALIDASE
Authors:Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L.
Deposit date:1996-04-23
Release date:1996-12-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
7NB0
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BU of 7nb0 by Molmil
Structure of the DNA-binding domain of SEPALLATA 3
Descriptor: Developmental protein SEPALLATA 3
Authors:Zubieta, C, Nanao, M.H.
Deposit date:2021-01-25
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The intervening domain is required for DNA-binding and functional identity of plant MADS transcription factors.
Nat Commun, 12, 2021
8CIP
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BU of 8cip by Molmil
Crystal structure of transketolase from Geobacillus stearothermophilus
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Leogrande, C, Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of transketolase from Geobacillus stearothermophilus
To Be Published
7NTR
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BU of 7ntr by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SUBSTRATE MIMIC 3-PHENYLPROPIONATE
Descriptor: Branched-chain-amino-acid aminotransferase, cytosolic, HYDROCINNAMIC ACID, ...
Authors:Hillig, R.C.
Deposit date:2021-03-10
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022

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