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5FNR
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BU of 5fnr by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FNT
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BU of 5fnt by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FZJ
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BU of 5fzj by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2016-03-14
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
6F6Y
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BU of 6f6y by Molmil
Crystal structure of galectin-3 CRD in complex with galactopentaose
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose
Authors:Hakansson, M, Andersen, M.C.F, Clausen, M.H, Logan, D.T.
Deposit date:2017-12-06
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Beta-(1-4)-d-galactans: synthesis and binding interactions with galectin-3
To Be Published
1DKY
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BU of 1dky by Molmil
THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 2 NATIVE CRYSTALS
Descriptor: DNAK, PEPTIDE SUBSTRATE
Authors:Zhu, X, Zhao, X, Burkholder, W.F, Gragerov, A, Ogata, C.M, Gottesman, M.E, Hendrickson, W.A.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of substrate binding by the molecular chaperone DnaK.
Science, 272, 1996
1DKX
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BU of 1dkx by Molmil
THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 SELENOMETHIONYL CRYSTALS
Descriptor: SUBSTRATE BINDING DOMAIN OF DNAK, SUBSTRATE PEPTIDE (7 RESIDUES)
Authors:Zhu, X, Zhao, X, Burkholder, W.F, Gragerov, A, Ogata, C.M, Gottesman, M.E, Hendrickson, W.A.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of substrate binding by the molecular chaperone DnaK.
Science, 272, 1996
5FNQ
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BU of 5fnq by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
1D4F
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BU of 1d4f by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT RAT-LIVER D244E MUTANT S-ADENOSYLHOMOCYSTEINE HYDROLASE
Descriptor: ADENOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE
Authors:Komoto, J, Huang, Y, Takusagawa, F, Gomi, T, Ogawa, H, Takata, Y, Fujioka, M.
Deposit date:2000-06-22
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Effects of site-directed mutagenesis on structure and function of recombinant rat liver S-adenosylhomocysteine hydrolase. Crystal structure of D244E mutant enzyme.
J.Biol.Chem., 275, 2000
7UM3
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BU of 7um3 by Molmil
Crystal structure of a Fab in complex with a peptide derived from the LAG-3 D1 domain loop insertion
Descriptor: D1 domain loop peptide from Lymphocyte activation gene 3 protein, Fab heavy chain, Fab light chain
Authors:Zorn, J.A, Lee, P.S, Rajpal, A, Strop, P.
Deposit date:2022-04-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3983 Å)
Cite:Preclinical Characterization of Relatlimab, a Human LAG-3-Blocking Antibody, Alone or in Combination with Nivolumab.
Cancer Immunol Res, 10, 2022
7VMY
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BU of 7vmy by Molmil
Crystal structure of LimF prenyltransferase bound with GSPP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, ...
Authors:Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2021-10-09
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
7VMW
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BU of 7vmw by Molmil
Crystal structure of LimF prenyltransferase bound with a peptide substrate and GSPP
Descriptor: GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
Authors:Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2021-10-09
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
6G0C
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BU of 6g0c by Molmil
Crystal structure of SdeA catalytic core
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitinating/deubiquitinating enzyme SdeA
Authors:Kalayil, S, Bhogaraju, S, Basquin, J, Dikic, I.
Deposit date:2018-03-17
Release date:2018-05-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Insights into catalysis and function of phosphoribosyl-linked serine ubiquitination.
Nature, 557, 2018
6FM2
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BU of 6fm2 by Molmil
CARP domain of mouse cyclase-associated protein 1 (CAP1) bound to ADP-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Kotila, T.M, Kogan, K, Lappalainen, P.
Deposit date:2018-01-30
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of actin monomer re-charging by cyclase-associated protein.
Nat Commun, 9, 2018
1GIQ
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BU of 1giq by Molmil
Crystal Structure of the Enzymatic Componet of Iota-Toxin from Clostridium Perfringens with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, IOTA TOXIN COMPONENT IA
Authors:Tsuge, H, Nagahama, M, Nishimura, H, Hisatsune, J, Sakaguchi, Y, Itogawa, Y, Katunuma, N, Sakurai, J.
Deposit date:2001-03-12
Release date:2003-01-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Site-directed Mutagenesis of Enzymatic Components from Clostridium perfringens Iota-toxin
J.MOL.BIOL., 325, 2003
6H8K
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BU of 6h8k by Molmil
Crystal structure of a variant (Q133C in PSST) of Yarrowia lipolytica complex I
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH dehydrogenase [ubiquinone] flavoprotein 1, ...
Authors:Wirth, C, Galemou Yoga, E, Zickermann, V, Hunte, C.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Locking loop movement in the ubiquinone pocket of complex I disengages the proton pumps.
Nat Commun, 9, 2018
4LZF
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BU of 4lzf by Molmil
A novel domain in the microcephaly protein CPAP suggests a role in centriole architecture
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal P4.1-associated protein, SCL-interrupting locus protein homolog, ...
Authors:Hatzopoulos, G.N, Erat, M.C, Cutts, E, Rogala, K, Slatter, L, Stansfeld, P.J, Vakonakis, I.
Deposit date:2013-07-31
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural analysis of the G-box domain of the microcephaly protein CPAP suggests a role in centriole architecture.
Structure, 21, 2013
6G71
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BU of 6g71 by Molmil
Structure of CYP1232A24 from Arthrobacter sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ...
Authors:Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G.
Deposit date:2018-04-04
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
7X5F
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BU of 7x5f by Molmil
Nrf2-MafG heterodimer bound with CsMBE2
Descriptor: Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5G
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BU of 7x5g by Molmil
Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2
Descriptor: DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ...
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5E
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BU of 7x5e by Molmil
Nrf2-MafG heterodimer bound with CsMBE1
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ...
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
1GC5
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BU of 1gc5 by Molmil
CRYSTAL STRUCTURE OF A NOVEL ADP-DEPENDENT GLUCOKINASE FROM THERMOCOCCUS LITORALIS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADP-DEPENDENT GLUCOKINASE
Authors:Ito, S, Fushinobu, S, Yoshioka, I, Koga, S, Matsuzawa, H, Wakagi, T.
Deposit date:2000-07-20
Release date:2001-07-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the ADP-Specificity of a Novel Glucokinase from a Hyperthermophilic Archaeon
Structure, 9, 2001
1GIR
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BU of 1gir by Molmil
CRYSTAL STRUCTURE OF THE ENZYMATIC COMPONET OF IOTA-TOXIN FROM CLOSTRIDIUM PERFRINGENS WITH NADPH
Descriptor: IOTA TOXIN COMPONENT IA, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Tsuge, H, Nagahama, M, Nishimura, H, Hisatsune, J, Sakaguchi, Y, Itogawa, Y, Katunuma, N, Sakurai, J.
Deposit date:2001-03-12
Release date:2003-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure and Site-directed Mutagenesis of Enzymatic Components from Clostridium perfringens Iota-toxin
J.MOL.BIOL., 325, 2003
3O6R
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BU of 3o6r by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol
Descriptor: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, BENZENE-1,2,3-TRIOL, Chlorocatechol 1,2-dioxygenase, ...
Authors:Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
Deposit date:2010-07-29
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
6GIO
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BU of 6gio by Molmil
Structure of Amino Acid Amide Racemase from Ochrobactrum anthropi
Descriptor: 1,2-ETHANEDIOL, Amino acid amide racemase, PYRIDOXAL-5'-PHOSPHATE
Authors:Frese, A, Grogan, G.
Deposit date:2018-05-14
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An Aminocaprolactam Racemase from Ochrobactrum anthropi with Promiscuous Amino Acid Ester Racemase Activity.
Chembiochem, 2018
1H2R
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BU of 1h2r by Molmil
THREE-DIMENSIONAL STRUCTURE OF NI-FE HYDROGENASE FROM DESULFIVIBRIO VULGARIS MIYAZAKI F IN THE REDUCED FORM AT 1.4 A RESOLUTION
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Higuchi, Y, Ogata, H.
Deposit date:1999-06-14
Release date:2000-01-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Removal of the bridging ligand atom at the Ni-Fe active site of [NiFe] hydrogenase upon reduction with H2, as revealed by X-ray structure analysis at 1.4 A resolution.
Structure Fold.Des., 7, 1999

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