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5DBI
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BU of 5dbi by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial
Descriptor: (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5D4Y
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BU of 5d4y by Molmil
A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
Descriptor: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase
Authors:Zheng, Y, Guo, R.T.
Deposit date:2015-08-10
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
5DBG
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BU of 5dbg by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+
Descriptor: Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, W.D, Hu, Y.M, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
6JJS
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BU of 6jjs by Molmil
Crystal structure of an enzyme from Penicillium herquei in condition2
Descriptor: ACETATE ION, PhnH
Authors:Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-02-26
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
6JJT
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BU of 6jjt by Molmil
Crystal structure of an enzyme from Penicillium herquei in condition1
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, PhnH
Authors:Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-02-26
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
5CUY
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BU of 5cuy by Molmil
Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form
Descriptor: Acidocalcisomal pyrophosphatase, CITRIC ACID, MAGNESIUM ION
Authors:Yang, Y.Y, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2015-07-25
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
6ITA
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BU of 6ita by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
Descriptor: Butyrophilin subfamily 3 member A1
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-11-20
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5DBF
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BU of 5dbf by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH
Descriptor: Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5EPT
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BU of 5ept by Molmil
Crystal Structure of S. cerevisiae TSA2 in the disulfide state
Descriptor: Peroxiredoxin TSA2
Authors:Nielsen, M.H, Kidmose, R.T, Jenner, L.B.
Deposit date:2015-11-12
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (5 Å)
Cite:Structure of TSA2 reveals novel features of the active-site loop of peroxiredoxins.
Acta Crystallogr D Struct Biol, 72, 2016
5CUV
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BU of 5cuv by Molmil
Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form
Descriptor: Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION
Authors:Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2015-07-25
Release date:2016-03-02
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
6KA2
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BU of 6ka2 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum in complex with TBN
Descriptor: (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, Thebaine synthase 2
Authors:Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-06-20
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
5DVB
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BU of 5dvb by Molmil
Crystal Structure of S. cerevisiae TSA2
Descriptor: Tsa2p
Authors:Nielsen, M.H, Kidmose, R.T, Jenner, L.B.
Deposit date:2015-09-21
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of TSA2 reveals novel features of the active-site loop of peroxiredoxins.
Acta Crystallogr D Struct Biol, 72, 2016
5CUW
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BU of 5cuw by Molmil
Crystal structure of Sortase E1 from Streptomyces coelicolor with tripeptide in the active site
Descriptor: GLYCEROL, SrtE1
Authors:Kattke, M.D, Cascio, D, Sawaya, M.R, Clubb, R.T.
Deposit date:2015-07-25
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Crystal structure of the first class E sortase transpeptidase, SrtE1 from Streptomyces coelicolor
To be published
6KA3
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BU of 6ka3 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum
Descriptor: PALMITIC ACID, SULFATE ION, Thebaine synthase 2
Authors:Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-06-20
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
6KQX
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BU of 6kqx by Molmil
Crystal structure of Yijc from B. subtilis in complex with UDP
Descriptor: URIDINE-5'-DIPHOSPHATE, Uncharacterized UDP-glucosyltransferase YjiC
Authors:Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-08-20
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
6A9F
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BU of 6a9f by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one
Descriptor: 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-07-13
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
7CWQ
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BU of 7cwq by Molmil
Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
Descriptor: DLH domain-containing protein, SULFATE ION
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-08-30
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
7CQB
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BU of 7cqb by Molmil
Crystal structure of mutant of a Petase mutant
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-08-09
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of mutant of a Petase mutant
to be published
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
Descriptor: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
Authors:Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
6CHR
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BU of 6chr by Molmil
Crystal structure of a group II intron lariat with an intact 3' splice site (pre-2s state)
Descriptor: MAGNESIUM ION, RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*A)-3'), RNA (621-MER), ...
Authors:Chan, R.T, Peters, J.K, Robart, A.R, Wiryaman, T, Rajashankar, K.R, Toor, N.
Deposit date:2018-02-22
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for the second step of group II intron splicing.
Nat Commun, 9, 2018
6C8Y
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BU of 6c8y by Molmil
D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Windsor, I.W, Raines, R.T, Forest, K.T.
Deposit date:2018-01-25
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6BQC
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BU of 6bqc by Molmil
Cyclopropane fatty acid synthase from E. coli
Descriptor: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ...
Authors:Hari, S.B, Grant, R.A, Sauer, R.T.
Deposit date:2017-11-27
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.073 Å)
Cite:Structural and Functional Analysis of E. coli Cyclopropane Fatty Acid Synthase.
Structure, 26, 2018
6CIH
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BU of 6cih by Molmil
Crystal structure of a group II intron lariat in the post-catalytic state
Descriptor: IRIDIUM HEXAMMINE ION, MAGNESIUM ION, RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*AP*C*-3'), ...
Authors:Chan, R.T, Peters, J.K, Robart, A.R, Wiryaman, T, Rajashankar, K.R, Toor, N.
Deposit date:2018-02-23
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.676 Å)
Cite:Structural basis for the second step of group II intron splicing.
Nat Commun, 9, 2018
7CY0
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BU of 7cy0 by Molmil
Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis
Descriptor: ACETIC ACID, Poly(ethylene terephthalate) hydrolase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-09-03
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
6BRA
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BU of 6bra by Molmil
HIV-1 protease (D25N, inactive) in complex with phage display optimized substrate SGIFLETS
Descriptor: CHLORIDE ION, Phage display-optimized HIV-1 protease substrate, Protease
Authors:Windsor, I.W, Raines, R.T.
Deposit date:2017-11-30
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:A substrate selected by phage display exhibits enhanced side-chain hydrogen bonding to HIV-1 protease.
Acta Crystallogr D Struct Biol, 74, 2018

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