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2M9N
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BU of 2m9n by Molmil
Solution Structure of (HhH)2 domain of human FAAP24
Descriptor: Fanconi anemia-associated protein of 24 kDa
Authors:Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
Deposit date:2013-06-18
Release date:2013-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
7W5E
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BU of 7w5e by Molmil
Oxidase ChaP D49L mutant
Descriptor: ChaP, FE (III) ION
Authors:Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R.
Deposit date:2021-11-30
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
Descriptor: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
Authors:Gao, M, Cai, W.
Deposit date:2017-11-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
Descriptor: MAGNESIUM ION, RecJ-like protein, SULFATE ION
Authors:Cheng, K.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 2024
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
5XKF
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BU of 5xkf by Molmil
Crystal structure of T2R-TTL-MPC6827 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKE
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BU of 5xke by Molmil
Crystal structure of T2R-TTL-Demecolcine complex
Descriptor: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKG
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BU of 5xkg by Molmil
Crystal structure of T2R-TTL-CH1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKH
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BU of 5xkh by Molmil
Crystal structure of T2R-TTL-CF1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
4N74
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BU of 4n74 by Molmil
Crystal Structure of Outer Membrane Protein TamA beta-barrel Domain in E.coli
Descriptor: Predicted outer membrane protein and surface antigen
Authors:Wang, Y.
Deposit date:2013-10-14
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
To be Published
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
Descriptor: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
Authors:Wang, Z, Sudom, A, Walker, N.P, Min, X.
Deposit date:2012-06-01
Release date:2012-12-12
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
8XUR
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BU of 8xur by Molmil
BA.2.86 Spike Trimer in complex with heparan sulfate
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yue, C, Liu, P.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUU
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BU of 8xuu by Molmil
BA.2.86-T356K Spike Trimer in complex with heparan sulfate (Local refinement)
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Yue, C, Liu, P.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUT
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BU of 8xut by Molmil
XBB.1.5 Spike Trimer in complex with heparan sulfate
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yue, C, Liu, P, Mao, X.
Deposit date:2024-01-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
3H42
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BU of 3h42 by Molmil
Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
Descriptor: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
Deposit date:2009-04-17
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
5VOU
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BU of 5vou by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
5VOT
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BU of 5vot by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
4OCH
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BU of 4och by Molmil
Apo structure of Smr domain of MutS2 from Deinococcus radiodurans
Descriptor: Endonuclease MutS2, GLYCEROL
Authors:Zhang, H, Zhao, Y, Xu, Q, Hua, Y.J.
Deposit date:2014-01-09
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4001 Å)
Cite:Structural and functional studies of MutS2 from Deinococcus radiodurans.
Dna Repair, 21, 2014
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Li, D, Wang, W.
Deposit date:2016-06-17
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.85 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC1
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BU of 8zc1 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
Descriptor: Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
Descriptor: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
Descriptor: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
4OAS
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BU of 4oas by Molmil
co-crystal structure of MDM2 (17-111) in complex with compound 25
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2014-01-06
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014

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