Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 25 results

4WGI
DownloadVisualize
BU of 4wgi by Molmil
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
Descriptor: (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ...
Authors:Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H.
Deposit date:2014-09-18
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
5F6D
DownloadVisualize
BU of 5f6d by Molmil
Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6
Descriptor: 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-05
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6W
DownloadVisualize
BU of 5f6w by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol)
Descriptor: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6V
DownloadVisualize
BU of 5f6v by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen)
Descriptor: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6X
DownloadVisualize
BU of 5f6x by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen)
Descriptor: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6E
DownloadVisualize
BU of 5f6e by Molmil
Crystal Structure of human Ubc9 (K48A/K49A/E54A)
Descriptor: 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-05
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6U
DownloadVisualize
BU of 5f6u by Molmil
Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146)
Descriptor: SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6Y
DownloadVisualize
BU of 5f6y by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole)
Descriptor: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5KVT
DownloadVisualize
BU of 5kvt by Molmil
THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB
Descriptor: Entrectinib, GLYCEROL, High affinity nerve growth factor receptor
Authors:Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M.
Deposit date:2016-07-15
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials
To Be Published
3FKU
DownloadVisualize
BU of 3fku by Molmil
Crystal structure of influenza hemagglutinin (H5) in complex with a broadly neutralizing antibody F10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Neutralizing antibody F10, ...
Authors:Hwang, W.C, Santelli, E, Stec, B, Wei, G, Cadwell, G, Bankston, L.A, Sui, J, Perez, S, Aird, D, Chen, L.M, Ali, M, Murakami, A, Yammanuru, A, Han, T, Cox, N, Donis, R.O, Liddington, R.C, Marasco, W.A.
Deposit date:2008-12-17
Release date:2009-02-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and functional bases for broad-spectrum neutralization of avian and human influenza A viruses.
Nat.Struct.Mol.Biol., 16, 2009
7XHG
DownloadVisualize
BU of 7xhg by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with the Caprin-1 derived peptide
Descriptor: Caprin-1(369-378), Ras GTPase-activating protein-binding protein 1
Authors:Dan, S, Weimin, G.
Deposit date:2022-04-08
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Yin and yang regulation of stress granules by Caprin-1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XHF
DownloadVisualize
BU of 7xhf by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with the USP10 derived peptide
Descriptor: Ras GTPase-activating protein-binding protein 1, USP10/6-21
Authors:Dan, S, Weimin, G.
Deposit date:2022-04-08
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Yin and yang regulation of stress granules by Caprin-1.
Proc.Natl.Acad.Sci.USA, 119, 2022
4AC5
DownloadVisualize
BU of 4ac5 by Molmil
Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R.
Deposit date:2011-12-14
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (8.2 Å)
Cite:Lipidic Phase Membrane Protein Serial Femtosecond Crystallography.
Nat.Methods, 9, 2012
9FLU
DownloadVisualize
BU of 9flu by Molmil
CryoEM structure of the fragment-1 (3402-3733) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9FLX
DownloadVisualize
BU of 9flx by Molmil
CryoEM structure of the fragment-4 (4074-4421) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9G8B
DownloadVisualize
BU of 9g8b by Molmil
CryoEM structure of the fragment-2 (2892-3236) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-07-23
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9FLV
DownloadVisualize
BU of 9flv by Molmil
CryoEM structure of the fragment-5 (2393-2807) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9FLS
DownloadVisualize
BU of 9fls by Molmil
CryoEM structure of the fragment-3 (2061-2397) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9FLW
DownloadVisualize
BU of 9flw by Molmil
CryoEM structure of the fragment-6 (3571-4078) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9FLP
DownloadVisualize
BU of 9flp by Molmil
CryoEM structure of the neck (1403-2314) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
9FLY
DownloadVisualize
BU of 9fly by Molmil
CryoEM structure of the base (4151-5009) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
Descriptor: The grappling hook protein A in the bacterium Aureispira sp. CCB-QB1
Authors:Lien, Y.-W, Amendola, D, Lee, K.S, Bartlau, N, Xu, J, Furusawa, G, Polz, M.F, Stocker, R, Weiss, G.L, Pilhofer, M.
Deposit date:2024-06-05
Release date:2024-10-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanism of bacterial predation via ixotrophy.
Science, 386, 2024
7B5H
DownloadVisualize
BU of 7b5h by Molmil
Cryo-EM structure of the contractile injection system base plate from Anabaena PCC7120
Descriptor: All3314 protein, All3315 protein, All3316 protein, ...
Authors:Eisenstein, F, Weiss, G.L, Pilhofer, M.
Deposit date:2020-12-03
Release date:2022-02-23
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of a thylakoid-anchored contractile injection system in multicellular cyanobacteria.
Nat Microbiol, 7, 2022
7B5I
DownloadVisualize
BU of 7b5i by Molmil
Cryo-EM structure of the contractile injection system cap complex from Anabaena PCC7120
Descriptor: All3324 protein, All3325 protein, All3326 protein, ...
Authors:Eisenstein, F, Weiss, G.L, Pilhofer, M.
Deposit date:2020-12-03
Release date:2022-02-23
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of a thylakoid-anchored contractile injection system in multicellular cyanobacteria.
Nat Microbiol, 7, 2022
3PCQ
DownloadVisualize
BU of 3pcq by Molmil
Femtosecond X-ray protein Nanocrystallography
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H.
Deposit date:2010-10-21
Release date:2011-02-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (8.984 Å)
Cite:Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
5D3H
DownloadVisualize
BU of 5d3h by Molmil
First bromodomain of BRD4 bound to inhibitor XD29
Descriptor: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M, Weitzel, G.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016

226707

PDB entries from 2024-10-30

PDB statisticsPDBj update infoContact PDBjnumon