7E4Z
 
 | | Crystal structure of tubulin in complex with Maytansinol | | Descriptor: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-02-16 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
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7E4Q
 | | Crystal structure of tubulin in complex with L-DM1-SMe | | Descriptor: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-02-14 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
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7E4R
 | | Crystal structure of tubulin in complex with D-DM1-SMe | | Descriptor: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-02-15 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
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7DAD
 | | EPD in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, Y, Wu, C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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5VEW
 | | Structure of the human GLP-1 receptor complex with PF-06372222 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ... | | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
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5VEX
 | | Structure of the human GLP-1 receptor complex with NNC0640 | | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
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4W9O
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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5DQU
 | | Crystal Structure of Cas-DNA-10 complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*TP*TP*TP*T)-3'), ... | | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | Deposit date: | 2015-09-15 | | Release date: | 2015-11-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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4W9P
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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8SNL
 | | Structure of human ADAM17/iRhom2 sheddase complex | | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2, ... | | Authors: | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structure of human ADAM17/iRhom2 sheddase complex
To Be Published
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8SNO
 | | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 | | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | | Authors: | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2
To Be Published
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8SNN
 | | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 | | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | | Authors: | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1
To Be Published
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8SNM
 | | Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain | | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Disintegrin and metalloproteinase domain-containing protein 17 propeptide, ... | | Authors: | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain
To Be Published
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4W9Q
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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3HHS
 | | Crystal Structure of Manduca sexta prophenoloxidase | | Descriptor: | COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2 | | Authors: | Li, Y, Wang, Y, Jiang, H, Deng, J. | | Deposit date: | 2009-05-17 | | Release date: | 2009-09-29 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1MRJ
 | | STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS | | Descriptor: | ADENOSINE, ALPHA-TRICHOSANTHIN | | Authors: | Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y. | | Deposit date: | 1994-07-01 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
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2G0U
 | | Solution Structure of Monomeric BsaL, the Type III Secretion Needle Protein of Burkholderia pseudomallei | | Descriptor: | type III secretion system needle protein | | Authors: | Zhang, L, Wang, Y, Picking, W.L, Picking, W.D, De Guzman, R.N. | | Deposit date: | 2006-02-13 | | Release date: | 2006-05-23 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Monomeric BsaL, the Type III Secretion Needle Protein of Burkholderia pseudomallei.
J.Mol.Biol., 359, 2006
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8YM2
 | | Crystal structure of AIDA-1 PTB domain in complex with SynGAP NPxF motif | | Descriptor: | Ankyrin repeat and sterile alpha motif domain-containing protein 1B, Ras/Rap GTPase-activating protein SynGAP | | Authors: | Wang, X, Wang, Y, Cai, Q, Zhang, M. | | Deposit date: | 2024-03-08 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | AIDA-1/ANKS1B Binds to the SynGAP Family RasGAPs with High Affinity and Specificity.
J.Mol.Biol., 436, 2024
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6QFI
 | | Structure of human Mcl-1 in complex with BIM BH3 peptide | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QFQ
 | | Structure of human Mcl-1 in complex with indole acid inhibitor | | Descriptor: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QG8
 | | Structure of human Bcl-2 in complex with PUMA BH3 peptide | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QGH
 | | Structure of human Bcl-2 in complex with ABT-263 | | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QGJ
 | | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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1MOZ
 | | ADP-ribosylation factor-like 1 (ARL1) from Saccharomyces cerevisiae | | Descriptor: | ADP-ribosylation factor-like protein 1, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Amor, J.C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A. | | Deposit date: | 2002-09-10 | | Release date: | 2002-10-09 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Structures of Yeast ARF2 and ARL1:
DISTINCT ROLES FOR THE N TERMINUS IN THE STRUCTURE
AND FUNCTION OF ARF FAMILY GTPases
J.Biol.Chem., 276, 2001
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