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5WMG
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BU of 5wmg by Molmil
N-terminal bromodomain of BRD4 in complex with OTX-015
Descriptor: 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMD
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BU of 5wmd by Molmil
N-terminal bromodomain of BRD4 in complex with OTX-015
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMA
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BU of 5wma by Molmil
N-terminal bromodomain of BRD4 in complex with PLX5981
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
6CFS
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BU of 6cfs by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation M186Q
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFV
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BU of 6cfv by Molmil
Structure of Human alpha-Phosphomannomutase 1 in complex with Inosine Monophosphate
Descriptor: INOSINIC ACID, MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFT
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BU of 6cft by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutations R180T and R183I
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
3HNZ
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BU of 3hnz by Molmil
Structure of E. coli FabF(C163A) in Complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
Descriptor: PRA1 family protein
Authors:Qin, L, Tang, L.H, Chen, Y.H.
Deposit date:2022-11-09
Release date:2023-06-21
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
3I8P
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BU of 3i8p by Molmil
Crystal structure of E. coli FabF(C163A) in complex with Platensimycin A1
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Platensimycin A1
Authors:Soisson, S.M, Parthsarathy, G.
Deposit date:2009-07-09
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
3HO9
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BU of 3ho9 by Molmil
Structure of E.coli FabF(C163A) in complex with Platencin A1
Descriptor: 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
3HO2
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BU of 3ho2 by Molmil
Structure of E.coli FabF(C163A) in complex with Platencin
Descriptor: 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
9JDZ
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BU of 9jdz by Molmil
Human URAT1 bound to lesinurad
Descriptor: Solute carrier family 22 member 12, lesinurad
Authors:Wu, C, Xu, H.E.
Deposit date:2024-09-01
Release date:2024-10-16
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular mechanisms of urate transport by the native human URAT1 and its inhibition by anti-gout drugs.
Cell Discov, 11, 2025
9IV2
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BU of 9iv2 by Molmil
Identification, structure and agonist design of an androgen membrane receptor.
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Adhesion G-protein coupled receptor D1, Gs protein alpha subunit, ...
Authors:Ping, Y.Q, Yang, Z.
Deposit date:2024-07-22
Release date:2025-02-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
9IV1
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BU of 9iv1 by Molmil
Identification, structure and agonist design of an androgen membrane receptor.
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Adhesion G-protein coupled receptor D1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ping, Y.Q, Yang, Z.
Deposit date:2024-07-22
Release date:2025-02-12
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
9EQG
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BU of 9eqg by Molmil
CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with GABA and puerarin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kasaragod, V.B, Aricescu, A.R.
Deposit date:2024-03-21
Release date:2024-09-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A brain-to-gut signal controls intestinal fat absorption.
Nature, 634, 2024
8W8Q
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BU of 8w8q by Molmil
Cryo-EM structure of the GPR101-Gs complex
Descriptor: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Sun, J.P, Gao, N, Yu, X, Wang, G.P, Yang, F, Wang, J.Y, Yang, Z, Guan, Y.
Deposit date:2023-09-04
Release date:2024-01-03
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024
8W8S
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BU of 8w8s by Molmil
Cryo-EM structure of the AA14-bound GPR101 complex
Descriptor: 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, Probable G-protein coupled receptor 101
Authors:Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P.
Deposit date:2023-09-04
Release date:2024-01-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024
8W8R
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BU of 8w8r by Molmil
Cryo-EM structure of the AA-14-bound GPR101-Gs complex
Descriptor: 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, 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:Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P.
Deposit date:2023-09-04
Release date:2024-01-03
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024
3FM9
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BU of 3fm9 by Molmil
Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis
Descriptor: Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Finci, L, Lahiri, S, Peisach, E, Allen, K.N.
Deposit date:2008-12-19
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
4E6N
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BU of 4e6n by Molmil
Crystal structure of bacterial Pnkp-C/Hen1-N heterodimer
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ...
Authors:Huang, R.H, Wang, P.
Deposit date:2012-03-15
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 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
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:2025-03-26
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
9CSK
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BU of 9csk by Molmil
Crystal structure of CDK4 cyclin D1 in complex with atirmociclib
Descriptor: Atirmociclib, Cyclin-dependent kinase 4, G1/S-specific cyclin-D1
Authors:Johnson, E.
Deposit date:2024-07-24
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:CDK4 selective inhibition improves preclinical anti-tumor efficacy and safety.
Cancer Cell, 43, 2025
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:2025-03-26
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
4F5J
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BU of 4f5j by Molmil
Rational Design and Directed Evolution for Conversion of Substrate Specificity from E.coli Aspartate Aminotransferase to Tyrosine Aminotransferase: Mutant P5.
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:2025-03-26
Method:X-RAY DIFFRACTION (1.954 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:2025-03-26
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

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