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7D1C
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BU of 7d1c by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound TH303
Descriptor: Cryptochrome-1, N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
Authors:Miller, S.A, Hirota, T.
Deposit date:2020-09-14
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
7D19
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BU of 7d19 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound TH129
Descriptor: Cryptochrome-1, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
Authors:Miller, S.A, Hirota, T.
Deposit date:2020-09-14
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
3D8H
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BU of 3d8h by Molmil
Crystal structure of phosphoglycerate mutase from Cryptosporidium parvum, cgd7_4270
Descriptor: Glycolytic phosphoglycerate mutase
Authors:Wernimont, A.K, Lew, J, Wasney, G, Alam, Z, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2008-05-23
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Characterization of a new phosphatase from Plasmodium.
Mol.Biochem.Parasitol., 179, 2011
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Das, K, Lin, W, Ebright, E.
Deposit date:2017-12-19
Release date:2018-02-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
6A1C
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BU of 6a1c by Molmil
Crystal structure of the CK2a1-go289 complex
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ...
Authors:Kinoshita, T, Tsuyuguchi, M.
Deposit date:2018-06-07
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
6VQF
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BU of 6vqf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
Descriptor: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
6K7F
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BU of 6k7f by Molmil
Crystal structure of MBPholo-Tim21 fusion protein with a 17-residue helical linker
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Bala, S, Shimada, A, Kohda, D.
Deposit date:2019-06-07
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
6K7D
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BU of 6k7d by Molmil
Crystal structure of MBPapo-Tim21 fusion protein with a 16-residue helical linker
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21
Authors:Bala, S, Shimada, A, Kohda, D.
Deposit date:2019-06-07
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
6K7E
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BU of 6k7e by Molmil
Crystal structure of MBPapo-Tim21 fusion protein with a 17-residue helical linker
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21
Authors:Bala, S, Shimada, A, Kohda, D.
Deposit date:2019-06-07
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
6ASG
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BU of 6asg by Molmil
Crystal structure of Thermus thermophilus RNA polymerase core enzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Liu, Y, Lin, W, Ying, R, Ebright, R.H.
Deposit date:2017-08-24
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
6DTL
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BU of 6dtl by Molmil
Mitogen-activated protein kinase 6
Descriptor: Mitogen-activated protein kinase 6
Authors:Ruble, J.
Deposit date:2018-06-17
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:Bipartite anchoring of SCREAM enforces stomatal initiation by coupling MAP kinases to SPEECHLESS.
Nat.Plants, 5, 2019
7D0N
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BU of 7d0n by Molmil
Crystal structure of mouse CRY2 apo form
Descriptor: Cryptochrome-2
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2020-09-11
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7DLI
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BU of 7dli by Molmil
Crystal structure of mouse CRY1 in complex with KL001 compound
Descriptor: 1,2-ETHANEDIOL, Cryptochrome-1, N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2020-11-27
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7D0M
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BU of 7d0m by Molmil
Crystal structure of mouse CRY1 with bound cryoprotectant
Descriptor: Cryptochrome-1, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2020-09-11
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EJ9
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BU of 7ej9 by Molmil
Alternative crystal structure of mouse Cryptochrome 2 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-2
Authors:Miller, S.A, Hirota, T.
Deposit date:2021-04-01
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6X8Q
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BU of 6x8q by Molmil
Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein PAPP peptide
Descriptor: 1,2-ETHANEDIOL, 3D11 Fab heavy chain, 3D11 Fab light chain, ...
Authors:Thai, E, Julien, J.P.
Deposit date:2020-06-01
Release date:2020-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural ordering of the Plasmodium berghei circumsporozoite protein repeats by inhibitory antibody 3D11.
Elife, 9, 2020
6X8U
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BU of 6x8u by Molmil
Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein Mixed peptide
Descriptor: 3D11 Fab heavy chain, 3D11 Fab light chain, GLYCEROL, ...
Authors:Thai, E, Julien, J.P.
Deposit date:2020-06-01
Release date:2020-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural ordering of the Plasmodium berghei circumsporozoite protein repeats by inhibitory antibody 3D11.
Elife, 9, 2020
6X8P
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BU of 6x8p by Molmil
Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein NPND peptide
Descriptor: 1,2-ETHANEDIOL, 3D11 Fab heavy chain, 3D11 Fab light chain, ...
Authors:Thai, E, Julien, J.P.
Deposit date:2020-06-01
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural ordering of the Plasmodium berghei circumsporozoite protein repeats by inhibitory antibody 3D11.
Elife, 9, 2020
2H03
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BU of 2h03 by Molmil
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
Descriptor: (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R.
Deposit date:2006-05-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg.Med.Chem.Lett., 16, 2006
2H02
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BU of 2h02 by Molmil
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
Descriptor: Protein tyrosine phosphatase, receptor type, B,, ...
Authors:Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R.
Deposit date:2006-05-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg.Med.Chem.Lett., 16, 2006
2H04
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BU of 2h04 by Molmil
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
Descriptor: Protein tyrosine phosphatase, receptor type, B,, ...
Authors:Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R.
Deposit date:2006-05-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg.Med.Chem.Lett., 16, 2006
4Q0M
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BU of 4q0m by Molmil
Crystal structure of Pyrococcus furiosus L-asparaginase
Descriptor: (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, GLYCEROL, L-asparaginase, ...
Authors:Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
Deposit date:2014-04-02
Release date:2014-12-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
4NJE
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BU of 4nje by Molmil
Crystal structure of Pyrococcus furiosus L-asparaginase with ligand
Descriptor: ASPARTIC ACID, L-asparaginase
Authors:Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
Deposit date:2013-11-09
Release date:2014-12-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
4RA9
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BU of 4ra9 by Molmil
Crystal Structure of Conjoint Pyrococcus Furiosus L-asparaginase with Citrate
Descriptor: CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
Deposit date:2014-09-09
Release date:2014-12-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
4RA6
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BU of 4ra6 by Molmil
Crystal structure of linker less Pyrococcus furiosus L-asparaginase
Descriptor: GLYCEROL, L-asparaginase
Authors:Sharma, P, Tomar, R, Ashish, Kundu, B.
Deposit date:2014-09-09
Release date:2014-12-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
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