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5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
Descriptor: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Wang, W.
Deposit date:2015-08-27
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
Descriptor: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2015-08-26
Release date:2016-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5D7W
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BU of 5d7w by Molmil
Crystal structure of serralysin
Descriptor: CALCIUM ION, GLYCEROL, Serralysin, ...
Authors:Wu, D, Ran, T, Xu, D.Q, Wang, W.
Deposit date:2015-08-14
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of a thermostable serralysin from Serratia sp. FS14 at 1.1 angstrom resolution.
Acta Crystallogr.,Sect.F, 72, 2016
6CQF
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BU of 6cqf by Molmil
Crystal structure of HPK1 in complex an inhibitor G1858
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
Authors:Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W.
Deposit date:2018-03-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
8I79
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BU of 8i79 by Molmil
Cryo-EM structure of KCTD7 in complex with Cullin3
Descriptor: BTB/POZ domain-containing protein KCTD7, Cullin-3
Authors:Jiang, W, Wang, W, Zheng, S.
Deposit date:2023-01-31
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
6D5Y
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BU of 6d5y by Molmil
Crystal structure of ERK2 G169D mutant
Descriptor: Mitogen-activated protein kinase 1
Authors:Yin, J, Jaiswal, B.S, Wang, W.
Deposit date:2018-04-19
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy.
Clin. Cancer Res., 24, 2018
3LF5
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BU of 3lf5 by Molmil
Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution
Descriptor: Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Deng, B, Parthasarathy, S, Wang, W, Gibney, B.R, Battaile, K.P, Lovell, S, Benson, D.R, Zhu, H.
Deposit date:2010-01-15
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain.
J.Biol.Chem., 285, 2010
3L82
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BU of 3l82 by Molmil
X-ray Crystal structure of TRF1 and Fbx4 complex
Descriptor: F-box only protein 4, Telomeric repeat-binding factor 1
Authors:Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M.
Deposit date:2009-12-29
Release date:2010-03-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4)
Dev.Cell, 18, 2010
8H4F
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BU of 8h4f by Molmil
Blasnase-T13A/P55F with D-asn
Descriptor: D-ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published
1G6M
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BU of 1g6m by Molmil
NMR SOLUTION STRUCTURE OF CBT2
Descriptor: SHORT NEUROTOXIN 1
Authors:Cheng, Y, Wang, W, Wang, J.
Deposit date:2000-11-07
Release date:2000-11-22
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:NMR Solution structure of CBT2
To be Published
1D6D
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BU of 1d6d by Molmil
SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT.
Descriptor: 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3'
Authors:Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J.
Deposit date:1999-10-13
Release date:2000-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
1DCH
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BU of 1dch by Molmil
CRYSTAL STRUCTURE OF DCOH, A BIFUNCTIONAL, PROTEIN-BINDING TRANSCRIPTION COACTIVATOR
Descriptor: DCOH (DIMERIZATION COFACTOR OF HNF-1), SULFATE ION
Authors:Endrizzi, J.A, Cronk, J.D, Wang, W, Crabtree, G.R, Alber, T.
Deposit date:1995-01-24
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of DCoH, a bifunctional, protein-binding transcriptional coactivator.
Science, 268, 1995
6SKV
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BU of 6skv by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
6SKS
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BU of 6sks by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
6SU9
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BU of 6su9 by Molmil
Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL
Descriptor: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Groves, M.R, Gao, K, Wang, W.
Deposit date:2019-09-13
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL.
Crystals, 2019
6SKT
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BU of 6skt by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH0)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
3VPI
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BU of 3vpi by Molmil
Crystal structure of type VI effector Tse1 from Pseudomonas aeruginosa
Descriptor: FORMIC ACID, type VI secretion exported 1
Authors:Ding, J, Wang, W, Wang, D.C.
Deposit date:2012-03-04
Release date:2012-06-27
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the Pseudomonas aeruginosa type VI virulence effector Tse1 bacteriolysis and self-protection mechanisms
J.Biol.Chem., 287, 2012
3VPJ
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BU of 3vpj by Molmil
crystal structure of type VI effector Tse1 from Pseudomonas aeruginosa in complex with immune protein Tsi1
Descriptor: Tse1-specific immunity protein, type VI secretion exported 1
Authors:Ding, J, Wang, W, Wang, D.C.
Deposit date:2012-03-04
Release date:2012-06-27
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the Pseudomonas aeruginosa type VI virulence effector Tse1 bacteriolysis and self-protection mechanisms
J.Biol.Chem., 287, 2012
4Q5W
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BU of 4q5w by Molmil
Crystal structure of extended-Tudor 9 of Drosophila melanogaster
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Maternal protein tudor
Authors:Ren, R, Liu, H, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
Deposit date:2014-04-17
Release date:2014-05-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
4Q5Y
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BU of 4q5y by Molmil
Crystal structure of extended-Tudor 10-11 of Drosophila melanogaster
Descriptor: Maternal protein tudor
Authors:Liu, H, Ren, R, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
Deposit date:2014-04-18
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
5GTX
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BU of 5gtx by Molmil
Crystal structure of mutated buckwheat glutaredoxin
Descriptor: buckwheat glutaredoxin
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-08-23
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
7V4Y
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BU of 7v4y by Molmil
TTHA1264/TTHA1265 complex
Descriptor: Putative zinc protease, ZINC ION, Zinc-dependent peptidase
Authors:Xu, M, Xu, Q, Ran, T, Wang, W, Sun, B, Wang, Q.
Deposit date:2021-08-16
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of TTHA1265 and TTHA1264/TTHA1265 complex reveal an intrinsic heterodimeric assembly.
Int.J.Biol.Macromol., 207, 2022
5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
Authors:Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
Deposit date:2015-06-30
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Descriptor: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Li, D, Wang, W.
Deposit date:2014-10-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
5GOU
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BU of 5gou by Molmil
Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
Descriptor: Ferritin heavy chain
Authors:Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G.
Deposit date:2016-07-29
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues.
Angew. Chem. Int. Ed. Engl., 55, 2016

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