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8JNX
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BU of 8jnx by Molmil
alkaline amylase Amy703 with truncated of N-terminus domain
Descriptor: Alpha-amylase, CALCIUM ION
Authors:Xiang, L, Zhang, G, Zhou, J.
Deposit date:2023-06-06
Release date:2023-12-13
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.20279884 Å)
Cite:N-terminal domain truncation yielded a unique dimer of polysaccharide hydrolase with enhanced enzymatic activity, stability and calcium ion independence.
Int.J.Biol.Macromol., 266, 2024
8JLV
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BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Xiang, L, Wang, M, Zhang, G, Zhou, J.
Deposit date:2023-06-02
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.998636 Å)
Cite:Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
8JN0
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BU of 8jn0 by Molmil
N/F domain of alkaline amylase Amy703
Descriptor: Alpha-amylase
Authors:Xiang, L, Zhang, G, Zhou, J.
Deposit date:2023-06-05
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.22826374 Å)
Cite:Truncation of N-terminus domain of alkaline a-amylase to form a unique dimer leads to improved activity and stability and decreased calcium ion dependence
To Be Published
8JNY
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BU of 8jny by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Descriptor: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
8JNZ
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BU of 8jnz by Molmil
Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Descriptor: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
Authors:Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
7BV5
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BU of 7bv5 by Molmil
Crystal structure of the yeast heterodimeric ADAT2/3
Descriptor: ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3
Authors:Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q.
Deposit date:2020-04-09
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the yeast heterodimeric ADAT2/3 deaminase.
Bmc Biol., 18, 2020
7C96
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BU of 7c96 by Molmil
Avr1d:GmPUB13 U-box
Descriptor: RING-type E3 ubiquitin transferase, RxLR effector protein Avh6
Authors:Xing, W, Hu, Q, Zhou, J, Yao, D.
Deposit date:2020-06-05
Release date:2021-03-17
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Phytophthora sojae effector Avr1d functions as an E2 competitor and inhibits ubiquitination activity of GmPUB13 to facilitate infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
6IX5
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BU of 6ix5 by Molmil
The structure of LepI complex with SAM and its substrate analogue
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ...
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX3
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BU of 6ix3 by Molmil
The structure of LepI complex with SAM
Descriptor: CHLORIDE ION, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX9
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BU of 6ix9 by Molmil
The structure of LepI C52A in complex with SAM and leporin C
Descriptor: (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one, CHLORIDE ION, GLYCEROL, ...
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6CAE
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BU of 6cae by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with NOSO-95179 antibiotic and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Pantel, L, Florin, T, Dobosz-Bartoszek, M, Racine, E, Sarciaux, M, Serri, M, Houard, J, Campagne, J.M, Marcia de Figueiredo, R, Midrier, C, Gaudriault, S, Givaudan, A, Lanois, A, Forst, S, Aumelas, A, Cotteaux-Lautard, C, Bolla, J.M, Vingsbo Lundberg, C, Huseby, D, Hughes, D, Villain-Guillot, P, Mankin, A.S, Polikanov, Y.S, Gualtieri, M.
Deposit date:2018-01-30
Release date:2018-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Odilorhabdins, Antibacterial Agents that Cause Miscoding by Binding at a New Ribosomal Site.
Mol. Cell, 70, 2018
8HP6
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BU of 8hp6 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase D12A mutant
Descriptor: (S)-2-haloacid dehalogenase, SODIUM ION
Authors:Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-12-12
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
8HP5
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BU of 8hp5 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase
Descriptor: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL
Authors:Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-12-12
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
8HP7
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BU of 8hp7 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase K152A mutant trapped with (2R)-4-amino-2-hydroxybutanoic acid
Descriptor: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, GAMMA-AMINO-BUTANOIC ACID
Authors:Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-12-12
Release date:2023-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
6IX7
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BU of 6ix7 by Molmil
The structure of LepI C52A in complex with SAH and substrate analogue
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ...
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX8
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BU of 6ix8 by Molmil
The structure of LepI C52A in complex with SAM and its substrate analogue
Descriptor: (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.659 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6T96
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BU of 6t96 by Molmil
Photorhabdus laumondii subsp. laumondii lectin PLL3
Descriptor: Lectin PLL3, SODIUM ION
Authors:Melicher, F, Houser, J, Fujdiarova, E, Faltinek, L, Wimmerova, M.
Deposit date:2019-10-26
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family.
Molecules, 24, 2019
6D1R
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BU of 6d1r by Molmil
Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom
Descriptor: Ribonuclease P protein component
Authors:Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
Deposit date:2018-04-12
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5KOC
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BU of 5koc by Molmil
Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7
Descriptor: Pavine N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Torres, M.A, Hoffarth, E, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
Deposit date:2016-06-30
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KOK
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BU of 5kok by Molmil
Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25
Descriptor: (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pavine N-methyltransferase, ...
Authors:Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
Deposit date:2016-06-30
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KPP
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BU of 5kpp by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-07-05
Release date:2016-11-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
4RNC
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BU of 4rnc by Molmil
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
Descriptor: Esterase, PHOSPHATE ION
Authors:Dou, S, Kong, X.D, Xu, J.H, Zhou, J.
Deposit date:2014-10-23
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate channel evolution of an esterase for the synthesis of Cilastatin
CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
5KPO
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BU of 5kpo by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L.
Deposit date:2016-07-05
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5KPQ
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BU of 5kpq by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-07-05
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5KPC
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BU of 5kpc by Molmil
Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6
Descriptor: Pavine N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
Deposit date:2016-07-03
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016

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