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8PNO
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BU of 8pno by Molmil
The MgF3(H2O) transition state analog complex of E. coli YihX
Descriptor: 1,2-ETHANEDIOL, Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, ...
Authors:Baumann, P, Zappala, D, Jin, Y.
Deposit date:2023-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MgF3(H2O)- transition state analog complex of E. coli YihX
To Be Published
7QSC
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BU of 7qsc by Molmil
GTPase IN COMPLEX WITH GDP.MGF3-
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:GTPase IN COMPLEX WITH GDP.MGF3-
To Be Published
7QTM
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BU of 7qtm by Molmil
Transition state analogue of small G protein in complex with relevant GAP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-01-14
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Transition state analogue of small G protein in complex with relevant GAP
To Be Published
8BWG
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BU of 8bwg by Molmil
HRas (1-166) Y64 phosphorylation
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-12-06
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8BOS
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BU of 8bos by Molmil
Transition state analogue complex of small G protein and its GAP effector
Descriptor: GTPase HRas, GUANIDINE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A small G protein with MgF3 TSA complex
To Be Published
8CNN
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BU of 8cnn by Molmil
BeF3 Phospho-HRas GSA complex
Descriptor: ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8CNJ
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BU of 8cnj by Molmil
HRas(1-166) in complex with GDP and BeF3-
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
2X7O
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BU of 2x7o by Molmil
Crystal structure of TGFbRI complexed with an indolinone inhibitor
Descriptor: (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I
Authors:Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E.
Deposit date:2010-03-03
Release date:2010-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
7A8P
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BU of 7a8p by Molmil
Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor.
Descriptor: (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial
Authors:Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G.
Deposit date:2020-08-30
Release date:2020-12-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Small-molecule inhibitors of human mitochondrial DNA transcription.
Nature, 588, 2020
8PNE
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BU of 8pne by Molmil
E.coli YihX Wild Type Apo
Descriptor: Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, CHLORIDE ION, ...
Authors:Zappala, D, Baumann, P, Jin, Y.
Deposit date:2023-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Apo structure of E.coli YihX Wild Type
To Be Published
1QZH
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BU of 1qzh by Molmil
Crystal structure of Pot1 (protection of telomere)- ssDNA complex
Descriptor: Protection of telomeres protein 1, telomeric single-stranded DNA
Authors:Lei, M, Podell, E.R, Baumann, P, Cech, T.R.
Deposit date:2003-09-16
Release date:2003-11-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
6EO1
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BU of 6eo1 by Molmil
The electron crystallography structure of the cAMP-bound potassium channel MloK1 (PCO-refined)
Descriptor: Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION
Authors:Kowal, J, Biyani, N, Chami, M, Scherer, S, Rzepiela, A, Baumgartner, P, Upadhyay, V, Nimigean, C, Stahlberg, H.
Deposit date:2017-10-08
Release date:2017-12-27
Last modified:2024-05-15
Method:ELECTRON CRYSTALLOGRAPHY (4.5 Å)
Cite:High-Resolution Cryoelectron Microscopy Structure of the Cyclic Nucleotide-Modulated Potassium Channel MloK1 in a Lipid Bilayer.
Structure, 26, 2018
1QZG
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BU of 1qzg by Molmil
Crystal structure of Pot1 (protection of telomere)- ssDNA complex
Descriptor: Protection of telomeres protein 1, THYMIDINE-5'-PHOSPHATE, telomeric single-stranded DNA
Authors:Lei, M, Podell, E.R, Baumann, P, Cech, T.R.
Deposit date:2003-09-16
Release date:2003-11-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
4CHW
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BU of 4chw by Molmil
The electron crystallography structure of the cAMP-free potassium channel MloK1
Descriptor: CYCLIC NUCLEOTIDE-GATED POTASSIUM CHANNEL MLL3241, POTASSIUM ION
Authors:Kowal, J, Chami, M, Baumgartner, P, Arheit, M, Chiu, P.L, Rangl, M, Scheuring, S, Schroeder, G.F, Nimigean, C.M, Stahlberg, H.
Deposit date:2013-12-04
Release date:2014-01-15
Last modified:2024-05-08
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Ligand-induced structural changes in the cyclic nucleotide-modulated potassium channel MloK1.
Nat Commun, 5, 2014
4CHV
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BU of 4chv by Molmil
The electron crystallography structure of the cAMP-bound potassium channel MloK1
Descriptor: CYCLIC NUCLEOTIDE-GATED POTASSIUM CHANNEL MLL3241, POTASSIUM ION
Authors:Kowal, J, Chami, M, Baumgartner, P, Arheit, M, Chiu, P.L, Rangl, M, Scheuring, S, Schroeder, G.F, Nimigean, C.M, Stahlberg, H.
Deposit date:2013-12-04
Release date:2014-01-15
Last modified:2024-05-08
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Ligand-Induced Structural Changes in the Cyclic Nucleotide-Modulated Potassium Channel Mlok1
Nat.Commun., 5, 2014
8QZO
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BU of 8qzo by Molmil
Crystal structure of heterodimeric complex of CdpB1 and CdpB2 from A. fulgidus
Descriptor: PRC-barrel domain-containing protein
Authors:Ciziene, D, Bellini, D, Lowe, J.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Proteins containing photosynthetic reaction centre domains modulate FtsZ-based archaeal cell division.
Nat Microbiol, 9, 2024
7B85
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BU of 7b85 by Molmil
Crystal Structure of EGFR-WT in Complex with TAK-788
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-12-12
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
1MYN
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BU of 1myn by Molmil
SOLUTION STRUCTURE OF DROSOMYCIN, THE FIRST INDUCIBLE ANTIFUNGAL PROTEIN FROM INSECTS, NMR, 15 STRUCTURES
Descriptor: DROSOMYCIN
Authors:Landon, C, Sodano, P, Hetru, C, Hoffmann, J.A, Ptak, M.
Deposit date:1996-12-26
Release date:1997-12-31
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of drosomycin, the first inducible antifungal protein from insects.
Protein Sci., 6, 1997
5E80
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BU of 5e80 by Molmil
The crystal structure of PDEd in complex with inhibitor-2a
Descriptor: N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Ismail, S, Fansa, E.K, Murarka, S, Wittinghofer, A.
Deposit date:2015-10-13
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of pyrazolopyridazinones as PDE delta inhibitors.
Nat Commun, 7, 2016
7OD9
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BU of 7od9 by Molmil
Crystal structure of activated CheY fused to the C-terminal domain of CheF
Descriptor: BERYLLIUM TRIFLUORIDE ION, C-terminal domain of CheF from Methanococcus maripaludis, MAGNESIUM ION, ...
Authors:Altegoer, F, Weiland, P, Bange, G.
Deposit date:2021-04-29
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the mechanism of archaellar rotational switching.
Nat Commun, 13, 2022
7OVP
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BU of 7ovp by Molmil
Crystal structure of the chemotactic adaptor protein CheF
Descriptor: Adaptor protein CheF
Authors:Altegoer, F, Weiland, P, Grininger, M, Bange, G.
Deposit date:2021-06-15
Release date:2022-04-27
Last modified:2022-06-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the mechanism of archaellar rotational switching.
Nat Commun, 13, 2022
8QNZ
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BU of 8qnz by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2023-09-27
Release date:2023-11-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
Descriptor: BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
Authors:Zhou, Q, Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023

 

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