7ZWT
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![BU of 7zwt by Molmil](/molmil-images/mine/7zwt) | Crystal structure of human BCL6 BTB domain in complex with compound 14 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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6RD8
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![BU of 6rd8 by Molmil](/molmil-images/mine/6rd8) | CryoEM structure of Polytomella F-ATP synthase, c-ring position 2, focussed refinement of Fo and peripheral stalk | Descriptor: | ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-9: Polytomella F-ATP synthase associated subunit 9, ATP synthase associated protein ASA1, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RFO
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![BU of 6rfo by Molmil](/molmil-images/mine/6rfo) | ERK2 MAP kinase with the activation loop of p38alpha | Descriptor: | Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1 | Authors: | Livnah, O, Eitan-Wexler, M. | Deposit date: | 2019-04-15 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
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6S6R
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![BU of 6s6r by Molmil](/molmil-images/mine/6s6r) | |
6RHZ
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![BU of 6rhz by Molmil](/molmil-images/mine/6rhz) | Structure of a minimal photosystem I from a green alga | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Perez Boerema, A, Klaiman, D, Caspy, I, Netzer-El, S.Y, Amunts, A, Nelson, N. | Deposit date: | 2019-04-23 | Release date: | 2020-02-19 | Last modified: | 2020-03-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of a minimal photosystem I from the green alga Dunaliella salina. Nat.Plants, 6, 2020
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6S34
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8BLO
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![BU of 8blo by Molmil](/molmil-images/mine/8blo) | Human Urea Transporter UT-A (N-Terminal Domain Model) | Descriptor: | Lauryl Maltose Neopentyl Glycol, Urea transporter 2, di-heneicosanoyl phosphatidyl choline | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Scacioc, A, Wang, D, McKinley, G, Fernandez-Cid, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Burgess-Brown, N.A, van Putte, W, Duerr, K. | Deposit date: | 2022-11-10 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition. Sci Adv, 9, 2023
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8BWU
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![BU of 8bwu by Molmil](/molmil-images/mine/8bwu) | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | Deposit date: | 2022-12-07 | Release date: | 2023-10-11 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024
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8CF9
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![BU of 8cf9 by Molmil](/molmil-images/mine/8cf9) | Crystal structure of the human PXR ligand-binding domain in complex with sclareol | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol | Authors: | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | Deposit date: | 2023-02-03 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the human PXR ligand-binding domain in complex with sclareol To Be Published
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6SFI
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![BU of 6sfi by Molmil](/molmil-images/mine/6sfi) | Crystal structure of p38 alpha in complex with compound 75 (MCP33) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9Y
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6SFJ
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![BU of 6sfj by Molmil](/molmil-images/mine/6sfj) | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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7Z38
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![BU of 7z38 by Molmil](/molmil-images/mine/7z38) | Structure of the RAF1-HSP90-CDC37 complex (RHC-I) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | Deposit date: | 2022-03-01 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation. Mol.Cell, 82, 2022
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7Z37
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![BU of 7z37 by Molmil](/molmil-images/mine/7z37) | Structure of the RAF1-HSP90-CDC37 complex (RHC-II) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | Deposit date: | 2022-03-01 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation. Mol.Cell, 82, 2022
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1SBB
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![BU of 1sbb by Molmil](/molmil-images/mine/1sbb) | T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SUPERANTIGEN SEB | Descriptor: | PROTEIN (14.3.D T CELL ANTIGEN RECEPTOR), PROTEIN (STAPHYLOCOCCAL ENTEROTOXIN B) | Authors: | Li, H, Mariuzza, R.A. | Deposit date: | 1999-02-22 | Release date: | 1999-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three-dimensional structure of the complex between a T cell receptor beta chain and the superantigen staphylococcal enterotoxin B. Immunity, 9, 1998
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1SLT
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1SBH
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![BU of 1sbh by Molmil](/molmil-images/mine/1sbh) | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S, K256Y) | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | Authors: | Kidd, R.D, Farber, G.K. | Deposit date: | 1995-09-01 | Release date: | 1995-12-07 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability. J.Am.Chem.Soc., 118, 1996
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1SFV
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![BU of 1sfv by Molmil](/molmil-images/mine/1sfv) | PORCINE PANCREAS PHOSPHOLIPASE A2, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Van Den Berg, B, Tessari, M, Boelens, R, Dijkman, R, Kaptein, R, De Haas, G.H, Verheij, H.M. | Deposit date: | 1996-02-20 | Release date: | 1996-07-11 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of porcine pancreatic phospholipase A2 complexed with micelles and a competitive inhibitor. J.Biomol.NMR, 5, 1995
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1SFW
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![BU of 1sfw by Molmil](/molmil-images/mine/1sfw) | PORCINE PANCREAS PHOSPHOLIPASE A2, NMR, 18 STRUCTURES | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Van Den Berg, B, Tessari, M, Boelens, R, Dijkman, R, Kaptein, R, De Haas, G.H, Verheij, H.M. | Deposit date: | 1996-02-23 | Release date: | 1996-07-11 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of porcine pancreatic phospholipase A2 complexed with micelles and a competitive inhibitor. J.Biomol.NMR, 5, 1995
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1SBI
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![BU of 1sbi by Molmil](/molmil-images/mine/1sbi) | SUBTILISIN BPN' 8397 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S) | Descriptor: | CALCIUM ION, SUBTILISIN 8397 | Authors: | Kidd, R.D, Yennawar, H.P, Farber, G.K. | Deposit date: | 1995-09-01 | Release date: | 1995-12-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability. J.Am.Chem.Soc., 118, 1996
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1TLE
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![BU of 1tle by Molmil](/molmil-images/mine/1tle) | LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES | Descriptor: | LAMININ | Authors: | Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A. | Deposit date: | 1996-01-26 | Release date: | 1997-02-12 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the nidogen binding LE module of the laminin gamma1 chain in solution. J.Mol.Biol., 257, 1996
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1QHW
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![BU of 1qhw by Molmil](/molmil-images/mine/1qhw) | PURPLE ACID PHOSPHATASE FROM RAT BONE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PROTEIN (PURPLE ACID PHOSPHATASE), ... | Authors: | Lindqvist, Y, Johansson, E, Kaija, H, Vihko, P, Schneider, G. | Deposit date: | 1999-03-26 | Release date: | 1999-09-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structure of a mammalian purple acid phosphatase at 2.2 A resolution with a mu-(hydr)oxo bridged di-iron center. J.Mol.Biol., 291, 1999
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1QUQ
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![BU of 1quq by Molmil](/molmil-images/mine/1quq) | COMPLEX OF REPLICATION PROTEIN A SUBUNITS RPA14 AND RPA32 | Descriptor: | PROTEIN (REPLICATION PROTEIN A 14 KD SUBUNIT), PROTEIN (REPLICATION PROTEIN A 32 KD SUBUNIT) | Authors: | Bochkarev, A, Bochkareva, E, Frappier, L, Edwards, A.M. | Deposit date: | 1999-07-02 | Release date: | 1999-08-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of the complex of replication protein A subunits RPA32 and RPA14 reveals a mechanism for single-stranded DNA binding. EMBO J., 18, 1999
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1R3C
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![BU of 1r3c by Molmil](/molmil-images/mine/1r3c) | THE STRUCTURE OF P38ALPHA C162S MUTANT | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 14 | Authors: | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | Deposit date: | 2003-10-01 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering. Biochim.Biophys.Acta, 1696, 2004
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1S01
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![BU of 1s01 by Molmil](/molmil-images/mine/1s01) | |