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6KX7
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Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound
Descriptor: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX5
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BU of 6kx5 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL044 compound
Descriptor: 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide, Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX6
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BU of 6kx6 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound
Descriptor: Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX4
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BU of 6kx4 by Molmil
Crystal structure of mouse Cryptochrome 1 apo form
Descriptor: Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6MNX
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BU of 6mnx by Molmil
Structural basis of impaired hydrolysis in KRAS Q61H mutant
Descriptor: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KRASQ61HPreferentially Signals through MAPK in a RAF Dimer-Dependent Manner in Non-Small Cell Lung Cancer.
Cancer Res., 80, 2020
5WUX
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BU of 5wux by Molmil
TNFalpha-certolizumab Fab
Descriptor: Tumor necrosis factor alpha, heavy, light
Authors:Heo, Y.S, Lee, J.U.
Deposit date:2016-12-21
Release date:2017-06-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Basis for the Neutralization of Tumor Necrosis Factor alpha by Certolizumab Pegol in the Treatment of Inflammatory Autoimmune Diseases
Int J Mol Sci, 18, 2017
5WFO
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BU of 5wfo by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFP
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BU of 5wfp by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFQ
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Ligand-bound Ras:SOS:Ras complex
Descriptor: 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5X2E
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BU of 5x2e by Molmil
Crystal structure of Calmodulin like domain of CsTAL3 (1-81aa)
Descriptor: CALCIUM ION, Tegumental protein 20.8 kDa
Authors:Jo, C.H, Hwang, K.Y.
Deposit date:2017-01-31
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Structural insights into a 20.8-kDa tegumental-allergen-like (TAL) protein from Clonorchis sinensis
Sci Rep, 7, 2017
5X2D
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BU of 5x2d by Molmil
Crystal structure of DLC like domain of CsTAL3 (83-177aa)
Descriptor: Tegumental protein 20.8 kDa
Authors:Jo, C.H, Hwang, K.Y.
Deposit date:2017-01-31
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into a 20.8-kDa tegumental-allergen-like (TAL) protein from Clonorchis sinensis
Sci Rep, 7, 2017
5WFR
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BU of 5wfr by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5X6Q
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BU of 5x6q by Molmil
Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048
Descriptor: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X6R
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BU of 5x6r by Molmil
Crystal structure of Saccharomyces cerevisiae KMO in complex with Ro 61-8048
Descriptor: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X68
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BU of 5x68 by Molmil
Crystal Structure of Human KMO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-21
Release date:2018-02-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X6P
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BU of 5x6p by Molmil
Crystal structure of Pseudomonas fluorescens KMO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-22
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5XJH
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BU of 5xjh by Molmil
Crystal structure of PETase from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.-J.
Deposit date:2017-05-01
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation.
Nat Commun, 9, 2018
5Y9J
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BU of 5y9j by Molmil
BAFF in complex with belimumab
Descriptor: Tumor necrosis factor ligand superfamily member 13B, belibumab light chain, belimumab heavy chain
Authors:Heo, Y.-S, Shin, W.
Deposit date:2017-08-25
Release date:2018-02-21
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:BAFF-neutralizing interaction of belimumab related to its therapeutic efficacy for treating systemic lupus erythematosus.
Nat Commun, 9, 2018
5YC1
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BU of 5yc1 by Molmil
TRAF4_GPIb complex
Descriptor: GPIb peptide, TNF receptor-associated factor 4
Authors:Park, H.H, Kim, C.M.
Deposit date:2017-09-06
Release date:2017-10-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Molecular basis for unique specificity of human TRAF4 for platelets GPIb beta and GPVI
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y9K
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Structure of the belimumab Fab fragment
Descriptor: belimumab heavy chain, belimumab light chain
Authors:Heo, Y.-S, Shin, W.
Deposit date:2017-08-25
Release date:2018-02-21
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:BAFF-neutralizing interaction of belimumab related to its therapeutic efficacy for treating systemic lupus erythematosus.
Nat Commun, 9, 2018
5YNS
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BU of 5yns by Molmil
Crystal structure of PETase R280A mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.-J.
Deposit date:2017-10-25
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation.
Nat Commun, 9, 2018
5ZYN
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BU of 5zyn by Molmil
Fumarate reductase
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, ...
Authors:Park, H.H, Kim, C.M.
Deposit date:2018-05-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of maintaining an oxidizing environment under anaerobiosis by soluble fumarate reductase.
Nat Commun, 9, 2018
6A4V
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BU of 6a4v by Molmil
Open Reading frame 49
Descriptor: 49 protein
Authors:Hwang, K.Y, Song, M.J, Kim, J.S, Cheong, W.C.
Deposit date:2018-06-21
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based mechanism of action of a viral poly(ADP-ribose) polymerase 1-interacting protein facilitating virus replication.
Iucrj, 5, 2018
6EIE
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BU of 6eie by Molmil
Ras guanine nucleotide exchange factor SOS2 (Rem-cdc25), with surface mutations
Descriptor: Son of sevenless homolog 2
Authors:Hillig, R.C, Moosmayer, D, Mastouri, J.
Deposit date:2017-09-19
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2PRJ
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BU of 2prj by Molmil
Binding of N-acetyl-beta-D-glucopyranosylamine to Glycogen Phosphorylase B
Descriptor: GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, N-acetyl-beta-D-glucopyranosylamine, ...
Authors:Oikonomakos, N.G, Kontou, M, Zographos, S.E, Watson, K.A, Johnson, L.N, Bichard, C.J.F, Fleet, G.W.J, Acharya, K.R.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-acetyl-beta-D-glucopyranosylamine: a potent T-state inhibitor of glycogen phosphorylase. A comparison with alpha-D-glucose.
Protein Sci., 4, 1995

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