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2X4O
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BU of 2x4o by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 envelope peptide env120-128
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, ENVELOPE GLYCOPROTEIN GP160, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
2X4U
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BU of 2x4u by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
8CEX
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BU of 8cex by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
Descriptor: 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Kosenina, S, Scaletti, E.R, Stenmark, P.
Deposit date:2023-02-02
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
To Be Published
6YIJ
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BU of 6yij by Molmil
Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
8CEY
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BU of 8cey by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
Authors:Kosenina, S, Scaletti, E.R, Stenmark, P.
Deposit date:2023-02-02
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
To Be Published
3BZH
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BU of 3bzh by Molmil
Crystal structure of human ubiquitin-conjugating enzyme E2 E1
Descriptor: GLYCEROL, Ubiquitin-conjugating enzyme E2 E1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-01-18
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
7QKS
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BU of 7qks by Molmil
Cryo-EM structure of ABC transporter STE6-2p from Pichia pastoris in apo conformation at 3.1 A resolution
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Plasma membrane ATP-binding cassette transporter required for the export of a-factor
Authors:Schleker, E.S.M, Reinhart, C.
Deposit date:2021-12-18
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional investigation of ABC transporter STE6-2p from Pichia pastoris reveals unexpected interaction with sterol molecules.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QKR
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BU of 7qkr by Molmil
Cryo-EM structure of ABC transporter STE6-2p from Pichia pastoris with Verapamil at 3.2 A resolution
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Dexverapamil, MAGNESIUM ION, ...
Authors:Schleker, E.S.M, Reinhart, C.
Deposit date:2021-12-18
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional investigation of ABC transporter STE6-2p from Pichia pastoris reveals unexpected interaction with sterol molecules.
Proc.Natl.Acad.Sci.USA, 119, 2022
2CPG
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BU of 2cpg by Molmil
TRANSCRIPTIONAL REPRESSOR COPG
Descriptor: CHLORIDE ION, TRANSCRIPTIONAL REPRESSOR COPG
Authors:Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M.
Deposit date:1999-11-15
Release date:1999-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator.
EMBO J., 17, 1998
6XTU
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BU of 6xtu by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM
Descriptor: Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
6XTV
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BU of 6xtv by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM WITH BOUND EFFECTOR ARG
Descriptor: ARGININE, Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
7QVM
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BU of 7qvm by Molmil
Human Oxytocin receptor (OTR) oxytocin Gq chimera (mGoqi) complex
Descriptor: Antibody fragment scFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Waltenspuhl, Y, Ehrenmann, J, Vacca, S, Thom, C, Medalia, O, Pluckthun, A.
Deposit date:2022-01-21
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for the activation and ligand recognition of the human oxytocin receptor.
Nat Commun, 13, 2022
5OTV
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BU of 5otv by Molmil
Extracellular domain of GLP-1 receptor in complex with GLP-1 variant Ala8Cyc/Thr11Hcs
Descriptor: Glucagon, Glucagon-like peptide 1 receptor
Authors:Mortensen, S.
Deposit date:2017-08-22
Release date:2018-07-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:alpha-Helix or beta-Turn? An Investigation into N-Terminally Constrained Analogues of Glucagon-like Peptide 1 (GLP-1) and Exendin-4.
Biochemistry, 57, 2018
1KNY
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BU of 1kny by Molmil
KANAMYCIN NUCLEOTIDYLTRANSFERASE
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, KANAMYCIN A, KANAMYCIN NUCLEOTIDYLTRANSFERASE, ...
Authors:Pedersen, L.C, Benning, M.M, Holden, H.M.
Deposit date:1995-07-07
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural investigation of the antibiotic and ATP-binding sites in kanamycin nucleotidyltransferase.
Biochemistry, 34, 1995
3A8G
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BU of 3a8g by Molmil
Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetonitrile
Descriptor: 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ...
Authors:Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M.
Deposit date:2009-10-06
Release date:2010-04-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase
J.Biol.Inorg.Chem., 15, 2010
3A8M
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BU of 3a8m by Molmil
Crystal structure of Nitrile Hydratase mutant Y72F complexed with Trimethylacetonitrile
Descriptor: 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ...
Authors:Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M.
Deposit date:2009-10-06
Release date:2010-04-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase
J.Biol.Inorg.Chem., 15, 2010
8QHM
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BU of 8qhm by Molmil
DNA mimic Foldamer with sticky ends
Descriptor: DNA mimic Foldamer
Authors:Deepak, D, Loos, M, Huc, I.
Deposit date:2023-09-08
Release date:2023-10-11
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Enhancing the Features of DNA Mimic Foldamers for Structural Investigations.
Chemistry, 30, 2024
7QEL
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BU of 7qel by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
Descriptor: (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Scaletti, E.R, Stenmark, P.
Deposit date:2021-12-03
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
To Be Published
1UOH
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BU of 1uoh by Molmil
HUMAN GANKYRIN
Descriptor: 26S PROTEASOME NON-ATPASE REGULATORY SUBUNIT 10
Authors:Krzywda, S, Brzozowski, A.M, Wilkinson, A.J.
Deposit date:2003-09-17
Release date:2003-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Gankyrin, an Oncoprotein Found in Complexes with Cyclin-Dependent Kinase 4, a 19 S Proteasomal ATPase Regulator, and the Tumor Suppressors Rb and P53
J.Biol.Chem., 279, 2004
1UOO
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BU of 1uoo by Molmil
Prolyl oligopeptidase from porcine brain, S554A mutant with bound peptide ligand GLY-PHE-ARG-PRO
Descriptor: GLYCEROL, PEPTIDE LIGAND GLY-PHE-ARG-PRO, PROLYL ENDOPEPTIDASE
Authors:Rea, D, Fulop, V.
Deposit date:2003-09-22
Release date:2003-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding
J.Biol.Chem., 278, 2003
7ZIW
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BU of 7ziw by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (FSAm(4)-TMR)
To Be Published
6YIM
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BU of 6yim by Molmil
Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
7ZIX
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BU of 7zix by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (TMR-S4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (HSAm(4)-TMR)
To Be Published
1D6M
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BU of 1d6m by Molmil
CRYSTAL STRUCTURE OF E. COLI DNA TOPOISOMERASE III
Descriptor: DNA TOPOISOMERASE III
Authors:Mondragon, A, DiGate, R.
Deposit date:1999-10-14
Release date:2000-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of Escherichia coli DNA topoisomerase III.
Structure Fold.Des., 7, 1999
8RYK
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BU of 8ryk by Molmil
IL-1beta in complex with macrocyclic peptide hit
Descriptor: Interleukin-1 beta, Macrocyclic peptide
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-09
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024

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數據於2024-07-31公開中

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