3K5K
 
 | | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | | Descriptor: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | | Authors: | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-07 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
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8JQJ
 | | Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor | | Descriptor: | Aldehyde reductase 2 | | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2023-06-14 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
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8JQK
 | | Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor | | Descriptor: | Aldehyde reductase 2 | | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2023-06-14 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
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3K6S
 | | Structure of integrin alphaXbeta2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
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3K72
 | | Structure of integrin alphaX beta2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A. | | Deposit date: | 2009-10-11 | | Release date: | 2010-01-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
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6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
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6M4P
 | | Cytochrome P450 monooxygenase StvP2 substrate-bound structure | | Descriptor: | 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | Deposit date: | 2020-03-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
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6M4Q
 | | Cytochrome P450 monooxygenase StvP2 substrate-free structure | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | Deposit date: | 2020-03-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
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6DQD
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6DQE
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7WLT
 | | the Curved Structure of mPIEZO1 in Lipid Bilayer | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | | Authors: | Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B. | | Deposit date: | 2022-01-13 | | Release date: | 2022-04-13 | | Last modified: | 2022-07-06 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structure deformation and curvature sensing of PIEZO1 in lipid membranes.
Nature, 604, 2022
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7WLU
 | | The Flattened Structure of mPIEZO1 in Lipid Bilayer | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Piezo-type mechanosensitive ion channel component 1 | | Authors: | Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B. | | Deposit date: | 2022-01-13 | | Release date: | 2022-04-13 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (6.81 Å) | | Cite: | Structure deformation and curvature sensing of PIEZO1 in lipid membranes.
Nature, 604, 2022
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7ESX
 | | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip | | Descriptor: | Bacteria factor 1 | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ESY
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip | | Descriptor: | Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ESZ
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip | | Descriptor: | BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.476 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ET0
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip | | Descriptor: | Bacteria factor A, Bacteria factor B | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7FIV
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis) | | Descriptor: | CidA_I gamma/2 protein, CidB_I b/2 protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
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7FIW
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel) | | Descriptor: | ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
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7FIU
 | | Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel | | Descriptor: | ULP_PROTEASE domain-containing protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
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7FIT
 | | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel | | Descriptor: | bacteria factor 1 | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
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1F0O
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8JDN
 | | Crystal structure of H405A mLDHD in complex with D-2-hydroxyvaleric acid | | Descriptor: | (2R)-2-oxidanylpentanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ... | | Authors: | Jin, S, Chen, X, Yang, J, Ding, J. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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8JDS
 | | Crystal structure of mLDHD in complex with Pyruvate | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, PYRUVIC ACID, ... | | Authors: | Jin, S, Chen, X, Yang, J, Ding, J. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.636 Å) | | Cite: | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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8JDB
 | | Crystal structure of H405A mLDHD in complex with D-2-hydroxyoctanoic acid | | Descriptor: | (2R)-2-oxidanyloctanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ... | | Authors: | Jin, S, Chen, X, Yang, J, Ding, J. | | Deposit date: | 2023-05-13 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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8JDC
 | | Crystal structure of mLDHD in apo form | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, mitochondrial | | Authors: | Jin, S, Chen, X, Yang, J, Ding, J. | | Deposit date: | 2023-05-13 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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