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8PI0
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BU of 8pi0 by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
Descriptor: (5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one, V-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog, isoform CRA_b
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-06-20
Release date:2024-07-10
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8PKS
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BU of 8pks by Molmil
Low resolution crystal structure of Keap1-456, a repeat fragment from the human Keap1 beta-propeller
Descriptor: Kelch-like ECH-associated protein 1
Authors:Wouters, S.M.L.
Deposit date:2023-06-27
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based assembly of a symmetric protein scaffold
To Be Published
8PKQ
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BU of 8pkq by Molmil
Crystal structure of PknD-34, a repeat fragment from the M. tuberculosis PknD beta-propeller
Descriptor: non-specific serine/threonine protein kinase
Authors:Wouters, S.M.L.
Deposit date:2023-06-27
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-based assembly of a symmetric protein scaffold
To Be Published
8PMK
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BU of 8pmk by Molmil
Cryo-EM structure of active Phthaloyl-CoA decarboxylase (Pcd) complex with prFMN bound
Descriptor: FE (III) ION, POTASSIUM ION, Phthaloyl-CoA decarboxylase, ...
Authors:Kayastha, K, Ermler, U.
Deposit date:2023-06-28
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Active Pcd complex with prFMN bound
To Be Published
8PRO
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BU of 8pro by Molmil
The structure of nvBagel2 binding the P8W48O184 polyoxometalate
Descriptor: Cell surface protein, P8W48O184 polyoxometalate
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of v13Bagel2
To Be Published
1BQ7
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BU of 1bq7 by Molmil
DSBA MUTANT P151A, ROLE OF THE CIS-PROLINE IN THE ACTIVE SITE OF DSBA
Descriptor: PROTEIN (DISULFIDE OXIDOREDUCTASE)
Authors:Charbonnier, J.-B, Stura, E.A.
Deposit date:1998-08-21
Release date:1999-08-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the role of the cis-proline residue in the active site of DsbA.
Protein Sci., 8, 1999
7BYW
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BU of 7byw by Molmil
Crystal structure of Acidovorax avenae L-fucose mutarotase (L-fucose-bound form)
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, L-fucose mutarotase, alpha-L-fucopyranose
Authors:Watanabe, Y, Watanabe, S.
Deposit date:2020-04-24
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Functional and structural characterization of a novel L-fucose mutarotase involved in non-phosphorylative pathway of L-fucose metabolism.
Biochem.Biophys.Res.Commun., 528, 2020
8PRM
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BU of 8prm by Molmil
The structure of nvBagel2 binding the P8W48O184 polyoxometalate
Descriptor: Cell surface protein, P8W48O184 polyoxometalate
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of v13Bagel2
To Be Published
1BR8
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BU of 1br8 by Molmil
IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN
Descriptor: PROTEIN (ANTITHROMBIN-III), PROTEIN (PEPTIDE)
Authors:Skinner, R, Chang, W.S.W, Jin, L, Pei, X.Y, Huntington, J.A, Abrahams, J.P, Carrell, R.W, Lomas, D.A.
Deposit date:1998-08-26
Release date:1998-09-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Implications for function and therapy of a 2.9 A structure of binary-complexed antithrombin.
J.Mol.Biol., 283, 1998
8PG8
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BU of 8pg8 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2816
Descriptor: 7-[(1~{S})-1-[5-[(2-azanylethanoylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2816
To Be Published
8PST
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BU of 8pst by Molmil
ERK2 covelently bound to RU60 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PGK
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BU of 8pgk by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3016
Descriptor: 7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3016
To Be Published
8PUJ
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BU of 8puj by Molmil
The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin.
Descriptor: COB(II)INAMIDE, HYDROXIDE ION, SODIUM ION, ...
Authors:Whittaker, J, Martinez-Felices, J.M, Guskov, A, Slotboom, D.J.
Deposit date:2023-07-17
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The surface-exposed lipo-protein of BtuG3 in complex with cyanocobinamide.
To Be Published
1BY4
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BU of 1by4 by Molmil
STRUCTURE AND MECHANISM OF THE HOMODIMERIC ASSEMBLY OF THE RXR ON DNA
Descriptor: DNA (5'-D(*C*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*A)-3'), PROTEIN (RETINOIC ACID RECEPTOR RXR-ALPHA), ...
Authors:Zhao, Q, Chasse, S.A, Devarakonda, S, Sierk, M.L, Ahvazi, B, Sigler, P.B, Rastinejad, F.
Deposit date:1998-10-22
Release date:2000-01-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of RXR-DNA interactions.
J.Mol.Biol., 296, 2000
8PG3
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BU of 8pg3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2729
Descriptor: 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2729
To Be Published
8PTT
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BU of 8ptt by Molmil
Human NUDT5 in complex with MRK-952
Descriptor: 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine, ADP-sugar pyrophosphatase, MAGNESIUM ION
Authors:Diaz-Saez, L, Koekemoer, L, Feyerherm, C, Sloman, S, Fischer, C, Schneider, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K.V.M.
Deposit date:2023-07-14
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human NUDT5 in complex with MRK-952
To Be Published
8PUZ
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BU of 8puz by Molmil
Crystal structure of tropomyosin (Cdc8) cables, Conformer 1
Descriptor: Tropomyosin
Authors:Reinke, P.Y.A, Zahn, M, Fedorov, R, Manstein, D.J.
Deposit date:2023-07-17
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic structure of cdc8 tropomyosin cables
To Be Published
8PGN
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BU of 8pgn by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3169
Descriptor: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3169
To Be Published
8PVR
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BU of 8pvr by Molmil
Cryo-EM structure of horse Nhe9 bound to PI(3,5)P2
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Sodium/hydrogen exchanger 9
Authors:Kokane, S, Meier, P, Gulati, A, Delemotte, L, Drew, D.
Deposit date:2023-07-18
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:PIP2 mediated oligomerization of the endosomal sodium/proton exchanger NHE9
To Be Published
8PIY
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BU of 8piy by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with (2E)-3-(1H-indol-2-yl)prop-2-enoic acid
Descriptor: (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-06-22
Release date:2024-07-10
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8PWO
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BU of 8pwo by Molmil
Hepatitis B core protein with bound Geraniol
Descriptor: Capsid protein, Geraniol
Authors:Makbul, C, Khayenko, V, Maric, M.H, Bottcher, B.
Deposit date:2023-07-21
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Peptide dimers aggregate Hepatitis B core proteins in live cells
To Be Published
8PWS
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BU of 8pws by Molmil
Dye-decolourising peroxidase DtpB (56 kGy)
Descriptor: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W.
Deposit date:2023-07-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dye-decolourising peroxidase DtpB (56 kGy)
To Be Published
8PGA
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BU of 8pga by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2818
Descriptor: 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2818
To Be Published
8PGP
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BU of 8pgp by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3193
Descriptor: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3193
To Be Published
8PQU
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BU of 8pqu by Molmil
NMR structure of the Thermus thermophilus PilF-GSPIIB domain in the apo state
Descriptor: ATP-binding motif-containing protein pilF
Authors:Neissner, K, Woehnert, J.
Deposit date:2023-07-12
Release date:2024-07-24
Method:SOLUTION NMR
Cite:NMR structure of the Thermus thermophilus PilF-GSPIIB domain in the apo state
To Be Published

224004

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