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6JIA
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BU of 6jia by Molmil
Marine bacterial laminarinase mutant E135A complex with laminaritetraose
Descriptor: CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase
Authors:Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L.
Deposit date:2019-02-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
3X0X
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BU of 3x0x by Molmil
Crystal structure of apo-DszC from Rhodococcus erythropolis D-1
Descriptor: DszC
Authors:Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M.
Deposit date:2014-10-23
Release date:2015-02-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.
Febs J., 282, 2015
6IBV
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BU of 6ibv by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-05-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
3WI5
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BU of 3wi5 by Molmil
Crystal structure of the Loop 7 mutant PorB from Neisseria meningitidis serogroup B
Descriptor: CITRATE ANION, Major outer membrane protein P.IB
Authors:Kattner, C, Toussi, D, Wetzler, L.M, Ruppel, N, Massari, P, Tanabe, M.
Deposit date:2013-09-05
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic analysis of Neisseria meningitidis PorB extracellular loops potentially implicated in TLR2 recognition.
J.Struct.Biol., 185, 2014
6KGA
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BU of 6kga by Molmil
Structure of Ovalbumin from Emu (Dromaius novaehollandiae)
Descriptor: Ovalbumin
Authors:Yasutake, Y, Maehashi, K, Matano, M, Takeuchi, J.
Deposit date:2019-07-11
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of Emu (Dromaius novaehollandiae) ovalbumin revealed alpha-1-antitrypsin-like domain-swapped trimer.
To Be Published
6JO3
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BU of 6jo3 by Molmil
Crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase from Thermoplasma acidophilum in complex with substrate sn-glycerol-1-phosphate
Descriptor: Geranylgeranylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE
Authors:Nemoto, N, Miyazono, K, Tanokura, M, Yamagishi, A.
Deposit date:2019-03-20
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase from Thermoplasma acidophilum in complex with the substrate sn-glycerol 1-phosphate.
Acta Crystallogr.,Sect.F, 75, 2019
6K31
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BU of 6k31 by Molmil
Crystal structure of pyrophosphate-dependent phosphoenolpyruvate carboxykinase (PPi-PEPCK)
Descriptor: AiPEPCK, COBALT (II) ION
Authors:Chiba, Y, Miyakawa, T, Tanokura, M.
Deposit date:2019-05-15
Release date:2019-11-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural comparisons of phosphoenolpyruvate carboxykinases reveal the evolutionary trajectories of these phosphodiester energy conversion enzymes.
J.Biol.Chem., 294, 2019
3WI4
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BU of 3wi4 by Molmil
Crystal structure of wild-type PorB from Neisseria meningitidis serogroup B
Descriptor: Major outer membrane protein P.IB
Authors:Kattner, C, Toussi, D, Wetzler, L.M, Ruppel, N, Massari, P, Tanabe, M.
Deposit date:2013-09-05
Release date:2014-01-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Crystallographic analysis of Neisseria meningitidis PorB extracellular loops potentially implicated in TLR2 recognition.
J.Struct.Biol., 185, 2014
3X0Y
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BU of 3x0y by Molmil
Crystal structure of FMN-bound DszC from Rhodococcus erythropolis D-1
Descriptor: DszC, FLAVIN MONONUCLEOTIDE
Authors:Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M.
Deposit date:2014-10-23
Release date:2015-02-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.
Febs J., 282, 2015
8B39
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BU of 8b39 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080299)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-09-16
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Descriptor: SULFATE ION, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-23
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Descriptor: ORF 73, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
2E7D
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BU of 2e7d by Molmil
Crystal structure of a NEAT domain from Staphylococcus aureus
Descriptor: ACETATE ION, GLYCEROL, Hypothetical protein IsdH, ...
Authors:Suenaga, A, Tanaka, Y, Yao, M, Kumagai, I, Tanaka, I, Tsumoto, K.
Deposit date:2007-01-09
Release date:2008-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for multimeric heme complexation through a specific protein-heme interaction: the case of the third neat domain of IsdH from Staphylococcus aureus
J.Biol.Chem., 283, 2008
2Z6F
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BU of 2z6f by Molmil
Crystal structure of NEAT domain from Staphylococcus aureus in complex with heme
Descriptor: Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tanaka, Y, Suenaga, A, Tsumoto, K.
Deposit date:2007-07-31
Release date:2008-07-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for multimeric heme complexation through a specific protein-heme interaction: the case of the third neat domain of IsdH from Staphylococcus aureus
J.Biol.Chem., 283, 2008
6F53
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BU of 6f53 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE QUADRUPLE VARIANT V88I/L99V/D103S/V101A
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F4Y
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BU of 6f4y by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE VARIANT D103S
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F54
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BU of 6f54 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE TRIPLE VARIANT V88I/L99VD103S
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F50
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BU of 6f50 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE DOUBLE VARIANT V88I/L99V
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
1WMA
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BU of 1wma by Molmil
Crystal structure of human CBR1 in complex with Hydroxy-PP
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, ...
Authors:Rauh, D, Bateman, R, Shokat, K.M.
Deposit date:2004-07-06
Release date:2005-04-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:An unbiased cell morphology-based screen for new, biologically active small molecules
Plos Biol., 3, 2005
5JWM
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BU of 5jwm by Molmil
Bivalent BET Bromodomain Inhibition
Descriptor: 2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide, Bromodomain-containing protein 4
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2016-05-12
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Design and characterization of bivalent BET inhibitors.
Nat.Chem.Biol., 12, 2016
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AQE
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BU of 8aqe by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080295)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-12
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AR5
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BU of 8ar5 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080265)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-15
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ARO
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BU of 8aro by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080291)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AQC
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BU of 8aqc by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080294)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-12
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023

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