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5BVF
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BU of 5bvf by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
Descriptor: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Ma, X, Steven, S.
Deposit date:2015-06-05
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5Z9R
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BU of 5z9r by Molmil
NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau
Descriptor: Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
Authors:Dou, S, Ma, X, Li, D, Liu, C.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nicotinamide mononucleotide adenylyltransferase uses its NAD+substrate-binding site to chaperone phosphorylated Tau.
Elife, 9, 2020
8J5Z
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BU of 8j5z by Molmil
The cryo-EM structure of the TwOSC1 tetramer
Descriptor: Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside
Authors:Ma, X, Yuru, T, Yunfeng, L, Jiang, T.
Deposit date:2023-04-24
Release date:2023-11-01
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
7XH2
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BU of 7xh2 by Molmil
Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein sfcH
Authors:Ma, X, Shao, N, Ma, M, Tang, G.
Deposit date:2022-04-07
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
7XH4
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BU of 7xh4 by Molmil
Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis complex with safracin A
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Safracin A, Uncharacterized protein sfcH
Authors:Ma, X, Shao, N, Zhang, Y, Yang, D, Ma, M, Tang, G.
Deposit date:2022-04-07
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
7Y47
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BU of 7y47 by Molmil
Crystal structure of bifunctional miltiradiene synthase from selaginella moellendorffii that complexed with GGPP
Descriptor: Bifunctional diterpene synthase, chloroplastic, GERANYLGERANYL DIPHOSPHATE, ...
Authors:Ma, X, Tao, Y, Jiang, T.
Deposit date:2022-06-14
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and mechanistic insights into the precise product synthesis by a bifunctional miltiradiene synthase.
Plant Biotechnol J, 21, 2023
7WAT
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BU of 7wat by Molmil
The Crystal Structure of Bifunctional Miltiradiene Synthase from Selaginella moellendorffii
Descriptor: Bifunctional diterpene synthase
Authors:Ma, X, Tong, Y, Jiang, T.
Deposit date:2021-12-15
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic insights into the precise product synthesis by a bifunctional miltiradiene synthase.
Plant Biotechnol J, 21, 2023
8VLB
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BU of 8vlb by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue
Descriptor: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
Authors:Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
Deposit date:2024-01-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
8VL9
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BU of 8vl9 by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue
Descriptor: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
Authors:Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
Deposit date:2024-01-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
5VBL
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BU of 5vbl by Molmil
Structure of apelin receptor in complex with agonist peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor,Rubredoxin,Apelin receptor Chimera, ZINC ION, ...
Authors:Ma, Y, Yue, Y, Ma, Y, Zhang, Q, Zhou, Q, Song, Y, Shen, Y, Li, X, Ma, X, Li, C, Hanson, M.A, Han, G.W, Sickmier, E.A, Swaminath, G, Zhao, S, Stevems, R.C, Hu, L.A, Zhong, W, Zhang, M, Xu, F.
Deposit date:2017-03-29
Release date:2017-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Apelin Control of the Human Apelin Receptor
Structure, 25, 2017
8YCM
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BU of 8ycm by Molmil
Monomeric Human STK19
Descriptor: Isoform 4 of Inactive serine/threonine-protein kinase 19, SULFATE ION
Authors:Li, J, Ma, X, Dong, Z.
Deposit date:2024-02-18
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Monomeric human STK19
To Be Published
1K5M
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BU of 1k5m by Molmil
Crystal Structure of a Human Rhinovirus Type 14:Human Immunodeficiency Virus Type 1 V3 Loop Chimeric Virus MN-III-2
Descriptor: CHIMERA OF HRV14 COAT PROTEIN VP2 (P1B) AND the V3 loop of HIV-1 gp120, COAT PROTEIN VP1 (P1D), COAT PROTEIN VP3 (P1C), ...
Authors:Ding, J, Smith, A.D, Geisler, S.C, Ma, X, Arnold, G.F, Arnold, E.
Deposit date:2001-10-11
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Human Rhinovirus that Displays Part of the HIV-1 V3 Loop and Induces Neutralizing Antibodies against HIV-1
Structure, 10, 2002
6KNM
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BU of 6knm by Molmil
Apelin receptor in complex with single domain antibody
Descriptor: Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION
Authors:Ma, Y.B, Ding, Y, Song, X, Ma, X, Li, X, Zhang, N, Song, Y, Sun, Y, Shen, Y, Zhong, W, Hu, L.A, Ma, Y.L, Zhang, M.Y.
Deposit date:2019-08-06
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-guided discovery of a single-domain antibody agonist against human apelin receptor.
Sci Adv, 6, 2020
2I1Q
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BU of 2i1q by Molmil
RadA Recombinase in complex with Calcium
Descriptor: CALCIUM ION, DNA repair and recombination protein radA, MAGNESIUM ION, ...
Authors:Qian, X, He, Y, Ma, X, Fodje, M.N, Grochulski, P, Luo, Y.
Deposit date:2006-08-14
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Calcium Stiffens Archaeal Rad51 Recombinase from Methanococcus voltae for Homologous Recombination.
J.Biol.Chem., 281, 2006
3TMO
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BU of 3tmo by Molmil
The catalytic domain of human deubiquitinase DUBA
Descriptor: OTU domain-containing protein 5
Authors:Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A.
Deposit date:2011-08-31
Release date:2012-01-11
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
6IMQ
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BU of 6imq by Molmil
Crystal structure of PML B1-box multimers
Descriptor: CHLORIDE ION, Protein PML, ZINC ION
Authors:Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G.
Deposit date:2018-10-23
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
5VXB
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BU of 5vxb by Molmil
Crystal structure of Caulobacter crescentus ProXp-ala at 1.69 Angstrom
Descriptor: ProXp-ala
Authors:Foster, M.P, Musier-Forsyth, K, Nakanishi, K, Ma, X.
Deposit date:2017-05-23
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Conformational and chemical selection by a trans-acting editing domain.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
Deposit date:2022-10-24
Release date:2023-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8J6R
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BU of 8j6r by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
Deposit date:2023-04-26
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6P
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BU of 8j6p by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ...
Authors:Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
Deposit date:2023-04-26
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6Q
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BU of 8j6q by Molmil
Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex
Descriptor: (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ...
Authors:Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
Deposit date:2023-04-26
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8IMZ
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BU of 8imz by Molmil
Cryo-EM structure of mouse Piezo1-MDFIC complex (composite map)
Descriptor: MyoD family inhibitor domain-containing protein, Piezo-type mechanosensitive ion channel component 1
Authors:Zhou, Z, Ma, X, Lin, Y, Cheng, D, Bavi, N, Li, J.V, Sutton, D, Yao, M, Harvey, N, Corry, B, Zhang, Y, Cox, C.D.
Deposit date:2023-03-07
Release date:2023-08-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:MyoD-family inhibitor proteins act as auxiliary subunits of Piezo channels.
Science, 381, 2023
7EB6
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BU of 7eb6 by Molmil
Crystal structure of GTP-binding protein-like domain of AGAP1
Descriptor: Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 1
Authors:Cheng, N, Zhang, H, Zhang, S, Ma, X, Meng, G.
Deposit date:2021-03-09
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.014 Å)
Cite:Crystal structure of the GTP-binding protein-like domain of AGAP1.
Acta Crystallogr.,Sect.F, 77, 2021
2FPB
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BU of 2fpb by Molmil
Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Strictosidine Synthase
Authors:Panjikar, S.
Deposit date:2006-01-16
Release date:2006-05-23
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins
Plant Cell, 18, 2006
2FP8
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BU of 2fp8 by Molmil
Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family
Descriptor: Strictosidine synthase
Authors:Panjikar, S.
Deposit date:2006-01-16
Release date:2006-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins
Plant Cell, 18, 2006

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