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7WEX
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BU of 7wex by Molmil
The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis
Descriptor: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, L.-H, Lin, S, Gao, L.
Deposit date:2021-12-24
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The 16 alpha-Hydroxylation of Progesterone by Cytochrome P450 107X1 from Streptomyces avermitilis.
Chem.Biodivers., 19, 2022
5UJT
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BU of 5ujt by Molmil
Crystal structure of human HLA-DQ8 in complex with insulin mimotope binding in register 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-beta-1, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-01-18
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BAN
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BU of 6ban by Molmil
Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain R11 Heavy chain, Variable domain of R11 Light Chain
Authors:Park, H, Rader, C.
Deposit date:2017-10-14
Release date:2018-06-13
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7U8Z
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BU of 7u8z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ...
Authors:Watson, P.R, Cragin, A.D, Christianson, D.W.
Deposit date:2022-03-09
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
7DEK
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BU of 7dek by Molmil
Pseudomonas aeruginosa FK506-binding protein PaFkbA
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Ynag, J, Huang, Q, Bao, R.
Deposit date:2020-11-04
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural characterization of PaFkbA: A periplasmic chaperone from Pseudomonas aeruginosa .
Comput Struct Biotechnol J, 19, 2021
2N2K
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BU of 2n2k by Molmil
Ensemble structure of the closed state of Lys63-linked diubiquitin in the absence of a ligand
Descriptor: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ubiquitin
Authors:Liu, Z, Gong, Z, Tang, C.
Deposit date:2015-05-10
Release date:2015-07-08
Last modified:2015-09-23
Method:SOLUTION NMR
Cite:Lys63-linked ubiquitin chain adopts multiple conformational states for specific target recognition.
Elife, 4, 2015
2YPT
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BU of 2ypt by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A
Descriptor: CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-11-01
Release date:2012-12-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
5XBL
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BU of 5xbl by Molmil
Structure of nuclease in complex with associated protein
Descriptor: Associated protein, CRISPR-associated endonuclease Cas9/Csn1, RNA (98-MER)
Authors:Dong, D, Guo, M, Wang, S, Zhu, Y, Huang, Z.
Deposit date:2017-03-20
Release date:2017-06-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Structural basis of CRISPR-SpyCas9 inhibition by an anti-CRISPR protein
Nature, 546, 2017
5Z55
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BU of 5z55 by Molmil
NMR Solution Structure of the Kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1)
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1
Authors:Ma, X, Hu, K.F.
Deposit date:2018-01-17
Release date:2018-05-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Backbone and side-chain chemical shift assignments of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1).
Biomol NMR Assign, 12, 2018
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-04-27
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5XP3
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BU of 5xp3 by Molmil
Crystal structure of apo T2R-TTL
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-31
Release date:2017-10-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
6JKJ
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BU of 6jkj by Molmil
Crystal structure of human SPSB2 in the apo-state
Descriptor: SPRY domain-containing SOCS box protein 2
Authors:Luo, Y, Kuang, Z.
Deposit date:2019-03-01
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the SPRY domain of human SPSB2 in the apo state.
Acta Crystallogr.,Sect.F, 75, 2019
6K9V
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BU of 6k9v by Molmil
Crystal structure of tubulin in complex with inhibitor D64
Descriptor: (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2019-06-18
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594, 2020
6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
Descriptor: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
Authors:Li, K, Kuang, Z.
Deposit date:2019-07-05
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 2021
6KOW
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BU of 6kow by Molmil
Retracted state of S65/T66 double-phosphorylated ubiquitin
Descriptor: Polyubiquitin-B
Authors:Dong, X, Tang, C.
Deposit date:2019-08-13
Release date:2019-08-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ubiquitin is double-phosphorylated by PINK1 for enhanced pH-sensitivity of conformational switch.
Protein Cell, 10, 2019
6KNZ
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BU of 6knz by Molmil
Crystal structure of T2R-TTL-KXO1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide, CALCIUM ION, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.475 Å)
Cite:Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity.
J.Biol.Chem., 294, 2019
6KOX
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BU of 6kox by Molmil
Relaxed state of S65/T66 double-phosphorylated ubiquitin
Descriptor: Polyubiquitin-B
Authors:Dong, X, Tang, C.
Deposit date:2019-08-13
Release date:2019-08-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ubiquitin is double-phosphorylated by PINK1 for enhanced pH-sensitivity of conformational switch.
Protein Cell, 10, 2019
7CSW
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BU of 7csw by Molmil
Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter
Descriptor: HTH cro/C1-type domain-containing protein, pa2440
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CM5
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BU of 7cm5 by Molmil
Full-length Sarm1 in a self-inhibited state
Descriptor: NAD(+) hydrolase SARM1
Authors:Zhang, Z, Jiang, Y.
Deposit date:2020-07-24
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
7CSV
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BU of 7csv by Molmil
Pseudomonas aeruginosa antitoxin HigA
Descriptor: HTH cro/C1-type domain-containing protein
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CM7
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BU of 7cm7 by Molmil
NAD+-bound Sarm1 E642A in the self-inhibited state
Descriptor: NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zhang, Z, Jiang, Y.
Deposit date:2020-07-25
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
7CSY
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BU of 7csy by Molmil
Pseudomonas aeruginosa antitoxin HigA with higBA promoter
Descriptor: DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ...
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CM6
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BU of 7cm6 by Molmil
NAD+-bound Sarm1 in the self-inhibited state
Descriptor: NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zhang, Z, Jiang, Y.
Deposit date:2020-07-25
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
7CL8
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BU of 7cl8 by Molmil
Testosterone-bound structure of CYP154C2 from Streptomyces avermitilis in an closed conformation
Descriptor: Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Xu, L.H, Fushinobu, S.
Deposit date:2020-07-20
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Improved 2 alpha-Hydroxylation Efficiency of Steroids by CYP154C2 Using Structure-Guided Rational Design.
Appl.Environ.Microbiol., 89, 2023

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