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4WN1
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BU of 4wn1 by Molmil
Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one
Descriptor: 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2014-10-10
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition.
Bioorg.Med.Chem., 23, 2015
4WLM
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BU of 4wlm by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese
Descriptor: MANGANESE (II) ION, SULFATE ION, Xyloside xylosyltransferase 1
Authors:Yu, H, Li, H.
Deposit date:2014-10-07
Release date:2015-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WLG
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BU of 4wlg by Molmil
crystal structure of mouse Xyloside xylosyltransferase 1, apo form
Descriptor: SULFATE ION, Xyloside xylosyltransferase 1
Authors:Yu, H, Li, H.
Deposit date:2014-10-07
Release date:2015-11-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WMB
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BU of 4wmb by Molmil
crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, acceptor ligand and UDP
Descriptor: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-08
Release date:2015-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WMK
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BU of 4wmk by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, product ligand and UDP (Product complex II)
Descriptor: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-09
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
3BIF
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BU of 3bif by Molmil
6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE EMPTY 6-PF-2K ACTIVE SITE
Descriptor: PHOSPHATE ION, PROTEIN (6-PHOSPHOFRUCTO-2-KINASE/ FRUCTOSE-2,6-BISPHOSPHATASE), SUCCINIC ACID, ...
Authors:Yuen, M.H, Hasemann, C.A.
Deposit date:1999-05-05
Release date:1999-09-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A switch in the kinase domain of rat testis 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase.
Biochemistry, 38, 1999
7Q4H
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BU of 7q4h by Molmil
A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex with PMSF
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, GLYCEROL, ...
Authors:Pinotsis, N, Wilmanns, M.
Deposit date:2021-10-30
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.00003219 Å)
Cite:Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
7Q4J
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BU of 7q4j by Molmil
A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex a monoacylglycerol intermediate
Descriptor: CHLORIDE ION, DECANE, GLYCEROL, ...
Authors:Pinotsis, N, Wilmanns, M.
Deposit date:2021-10-31
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
8Y2S
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BU of 8y2s by Molmil
P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid
Descriptor: 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K.
Deposit date:2024-01-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology
Acs Catalysis, 14, 2024
4XY2
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BU of 4xy2 by Molmil
Crystal structure of PDE10A in complex with ASP9436
Descriptor: 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2015-02-02
Release date:2015-06-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Addressing phototoxicity observed in a novel series of biaryl derivatives: Discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436
Bioorg.Med.Chem., 23, 2015
6LVM
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BU of 6lvm by Molmil
Crystal structure of FGFR3 in complex with pyrimidine derivative
Descriptor: 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide, Fibroblast growth factor receptor 3
Authors:Echizen, Y, Tateishi, Y, Amano, Y.
Deposit date:2020-02-04
Release date:2020-04-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
6LVK
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BU of 6lvk by Molmil
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
Descriptor: Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION
Authors:Echizen, Y, Amano, Y, Tateishi, Y.
Deposit date:2020-02-04
Release date:2020-04-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
7XLL
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BU of 7xll by Molmil
Alanine racemase from Lactobacillus sakei Uonuma-1.
Descriptor: ACETATE ION, ALANINE, Alanine racemase, ...
Authors:Shimizu-Ibuka, A, Kato, Y.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Regulation of alanine racemase activity by carboxylates and the d-type substrate d-alanine.
Febs J., 290, 2023
6L4Q
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BU of 6l4q by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-B
Descriptor: (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Babbar, P, Sharma, A, Manickam, Y, Mishra, S, Harlos, K.
Deposit date:2019-10-19
Release date:2021-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B
Chembiochem, 2021
6L3Y
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BU of 6l3y by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C
Descriptor: (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ...
Authors:Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K.
Deposit date:2019-10-15
Release date:2021-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B
Chembiochem, 2021
8YY8
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BU of 8yy8 by Molmil
Fzd7 -Gs complex
Descriptor: Frizzled-7, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Chen, B, Xu, L, Han, G.W, Xu, F.
Deposit date:2024-04-03
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s .
Cell Res., 31, 2021
8YTN
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BU of 8ytn by Molmil
Single-chain Fv antibody of E11
Descriptor: GLYCEROL, Single-chain Fv antibody of E11
Authors:Yoshida, M, Hanazono, Y, Numoto, N, Ito, N, Oda, M.
Deposit date:2024-03-26
Release date:2024-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Affinity-matured antibody with a disulfide bond in H-CDR3 loop.
Arch.Biochem.Biophys., 758, 2024
8YTO
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BU of 8yto by Molmil
Single-chain Fv antibody of E11 complex with NP-glycine
Descriptor: 2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Yoshida, M, Hanazono, Y, Numoto, N, Ito, N, Oda, M.
Deposit date:2024-03-26
Release date:2024-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Affinity-matured antibody with a disulfide bond in H-CDR3 loop.
Arch.Biochem.Biophys., 758, 2024
8YTP
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BU of 8ytp by Molmil
Single-chain Fv antibody of E11 complex with NP-glycine under reducing conditions
Descriptor: 2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid, Single-chain Fv antibody of E11
Authors:Yoshida, M, Hanazono, Y, Numoto, N, Ito, N, Oda, M.
Deposit date:2024-03-26
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Affinity-matured antibody with a disulfide bond in H-CDR3 loop.
Arch.Biochem.Biophys., 758, 2024
8K7X
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BU of 8k7x by Molmil
Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1223) in complex with Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Pan, L, Maruyama, S, Miyake, M, Fujita, K, Fushinobu, S.
Deposit date:2023-07-27
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans.
Appl.Microbiol.Biotechnol., 108, 2024
2RQ7
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BU of 2rq7 by Molmil
Solution structure of the epsilon subunit chimera combining the N-terminal beta-sandwich domain from T. Elongatus bp-1 f1 and the C-terminal alpha-helical domain from spinach chloroplast F1
Descriptor: ATP synthase epsilon chain,ATP synthase epsilon chain, chloroplastic
Authors:Yagi, H, Konno, H, Murakami-Fuse, T, Oroguchi, H, Akutsu, T, Ikeguchi, M, Hisabori, T.
Deposit date:2009-03-03
Release date:2010-01-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and functional analysis of the intrinsic inhibitor subunit epsilon of F1-ATPase from photosynthetic organisms.
Biochem.J., 425, 2010
2RQ6
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BU of 2rq6 by Molmil
Solution structure of the epsilon subunit of the F1-atpase from thermosynechococcus elongatus BP-1
Descriptor: ATP synthase epsilon chain
Authors:Yagi, H, Konno, H, Murakami-Fuse, T, Oroguchi, H, Akutsu, T, Ikeguchi, M, Hisabori, T.
Deposit date:2009-03-03
Release date:2010-01-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and functional analysis of the intrinsic inhibitor subunit epsilon of F1-ATPase from photosynthetic organisms.
Biochem.J., 425, 2010
1GSA
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BU of 1gsa by Molmil
STRUCTURE OF GLUTATHIONE SYNTHETASE COMPLEXED WITH ADP AND GLUTATHIONE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTATHIONE, GLUTATHIONE SYNTHETASE, ...
Authors:Hara, T, Kato, H, Nishioka, T, Katsube, Y, Oda, J.
Deposit date:1995-06-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A pseudo-michaelis quaternary complex in the reverse reaction of a ligase: structure of Escherichia coli B glutathione synthetase complexed with ADP, glutathione, and sulfate at 2.0 A resolution.
Biochemistry, 35, 1996
1OCO
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BU of 1oco by Molmil
BOVINE HEART CYTOCHROME C OXIDASE IN CARBON MONOXIDE-BOUND STATE
Descriptor: CARBON MONOXIDE, COPPER (II) ION, CYTOCHROME C OXIDASE, ...
Authors:Tsukihara, T, Yao, M.
Deposit date:1998-07-09
Release date:1999-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox-coupled crystal structural changes in bovine heart cytochrome c oxidase.
Science, 280, 1998
6M04
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BU of 6m04 by Molmil
Structure of the human homo-hexameric LRRC8D channel at 4.36 Angstroms
Descriptor: Volume-regulated anion channel subunit LRRC8D
Authors:Nakamura, R, Kasuya, G, Yokoyama, T, Shirouzu, M, Ishitani, R, Nureki, O.
Deposit date:2020-02-20
Release date:2020-06-17
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Cryo-EM structure of the volume-regulated anion channel LRRC8D isoform identifies features important for substrate permeation.
Commun Biol, 3, 2020

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