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4F5F
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BU of 4f5f by Molmil
Structure of Aspartate Aminotransferase Conversion to Tyrosine Aminotransferase: Chimera P1.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5M
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BU of 4f5m by Molmil
Wild-Type E. coli Aspartate Aminotransferase: A Template For The Interconversion of Substrate Specificity and Activity To Tyrosine Aminotransferase By The JANUS Algorithm.
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5I
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BU of 4f5i by Molmil
Substrate Specificity Conversion of E. coli Pyridoxal-5'-Phosphate Dependent Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5H
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BU of 4f5h by Molmil
Intercoversion of Substrate Specificity: E. coli Aspatate Aminotransferase to Tyrosine Aminotransferase: Chimera P3.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4DQZ
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BU of 4dqz by Molmil
Crystal Structure of C-terminal Half of Bacterial Hen1
Descriptor: Methyltransferase type 12
Authors:Huang, R.H, Wang, P.
Deposit date:2012-02-16
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Molecular basis of bacterial protein Hen1 activating the ligase activity of bacterial protein Pnkp for RNA repair.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F5L
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BU of 4f5l by Molmil
A Theoretical Optimized Mutant for the Conversion of Substrate Specificity and Activity of Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P7.
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Janus: an algorithm for ranking functional importance of residues from protein sequence alignments.
To be Published
8HGI
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BU of 8hgi by Molmil
Crystal structure of VNAR aGFP14 in complex with GFP
Descriptor: GFP, VNAR aGFP14, [2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
Authors:Zheng, P, Zhu, C, Jin, T.
Deposit date:2022-11-14
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selection, identification and crystal structure of shark-derived single-domain antibodies against a green fluorescent protein.
Int.J.Biol.Macromol., 247, 2023
4F5K
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BU of 4f5k by Molmil
Substrate Specificity Conversion of Aspartate Aminotransferase to Tyrosine Aminotransferase By The JANUS Algorithm: Chimera P6.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5G
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BU of 4f5g by Molmil
Rational Design and Directed Evolution of E. coli Apartate Aminotransferase to Tyrosine Aminotransferase: Mutant P2.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
6XEO
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BU of 6xeo by Molmil
Structure of Mfd bound to dsDNA
Descriptor: DNA (5'-D(P*AP*GP*GP*AP*TP*AP*CP*TP*TP*AP*CP*AP*GP*CP*CP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*GP*GP*CP*TP*GP*TP*AP*AP*GP*TP*AP*TP*CP*CP*T)-3'), Transcription-repair-coupling factor
Authors:Brugger, C, Deaconescu, A.
Deposit date:2020-06-12
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Molecular determinants for dsDNA translocation by the transcription-repair coupling and evolvability factor Mfd.
Nat Commun, 11, 2020
8JYS
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BU of 8jys by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two 2S-1244 nanobodies
Descriptor: IBT-CoV144 nanobody, Spike protein S1
Authors:Yang, Y, Zhang, C.H.
Deposit date:2023-07-03
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A novel nanobody broadly neutralizes SARS-CoV-2 via induction of spike trimer dimers conformation.
Exploration (Beijing), 4, 2024
7KJS
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BU of 7kjs by Molmil
Crystal structure of CDK2/cyclin E in complex with PF-06873600
Descriptor: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:McTigue, M.A, He, Y, Ferre, R.A.
Deposit date:2020-10-26
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
8GDB
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BU of 8gdb by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
7VKK
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BU of 7vkk by Molmil
Crystal structure of D. melanogaster SAMTOR V66W/E67P mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine sensor upstream of mTORC1, SULFATE ION
Authors:Zhang, T, Ding, J.
Deposit date:2021-09-30
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Molecular mechanism of S -adenosylmethionine sensing by SAMTOR in mTORC1 signaling.
Sci Adv, 8, 2022
7VKR
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BU of 7vkr by Molmil
Crystal structure of D. melanogaster SAMTOR in complex with SAM
Descriptor: CITRIC ACID, S-ADENOSYLMETHIONINE, S-adenosylmethionine sensor upstream of mTORC1
Authors:Tang, X, Zhang, T, Ding, J.
Deposit date:2021-09-30
Release date:2022-07-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of S -adenosylmethionine sensing by SAMTOR in mTORC1 signaling.
Sci Adv, 8, 2022
7VKQ
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BU of 7vkq by Molmil
Crystal structure of D. melanogaster SAMTOR in the SAH bound form
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, S-adenosylmethionine sensor upstream of mTORC1
Authors:Tang, X, Zhang, T, Ding, J.
Deposit date:2021-09-30
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:Molecular mechanism of S -adenosylmethionine sensing by SAMTOR in mTORC1 signaling.
Sci Adv, 8, 2022
5ZTC
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BU of 5ztc by Molmil
Apo structure of TetR family transcription regulator Lmo2088 of Listeria monocytogenes EGDe
Descriptor: Lmo2088 protein, PENTAETHYLENE GLYCOL
Authors:Samad, A, Jin, T.
Deposit date:2018-05-02
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structure of putative transcription regulator lmo2088 from Listeria monocytogenes.
Biochem.Biophys.Res.Commun., 520, 2019
6ULJ
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BU of 6ulj by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
Descriptor: 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-08
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
6UK6
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BU of 6uk6 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00018
Descriptor: 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-04
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00018
To Be Published
5XP5
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BU of 5xp5 by Molmil
C-Src in complex with ATP-Chf
Descriptor: MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
Authors:Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y.
Deposit date:2017-06-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
6UKB
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BU of 6ukb by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
Descriptor: Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-04
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00020
To Be Published
5XKD
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BU of 5xkd by Molmil
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom
Descriptor: Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE
Authors:Gu, L, Su, T, Liu, S, Su, J.
Deposit date:2017-05-07
Release date:2018-05-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
4NI9
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BU of 4ni9 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
Descriptor: Interleukin-6, SODIUM ION, SOMAmer SL1025
Authors:Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
Deposit date:2013-11-05
Release date:2014-01-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014

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PDB entries from 2024-09-11

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