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5YQZ
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BU of 5yqz by Molmil
Structure of the glucagon receptor in complex with a glucagon analogue
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ...
Authors:Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
6S0L
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BU of 6s0l by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-17
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
7NRN
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BU of 7nrn by Molmil
NMR structure of GIPC1-GH2 domain
Descriptor: PDZ domain-containing protein GIPC1
Authors:Barthe, P, Roumestand, C.
Deposit date:2021-03-04
Release date:2021-04-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Pressure and Chemical Unfolding of an alpha-Helical Bundle Protein: The GH2 Domain of the Protein Adaptor GIPC1.
Int J Mol Sci, 22, 2021
7PLK
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BU of 7plk by Molmil
Crystal structure bovine Hsc70(aa1-554)E213A/D214A in complex with nicotinic-acid-derivative
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-pyrrol-1-ylpyridine-3-carboxylic acid, GLYCEROL, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-08-31
Release date:2022-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.48781371 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
8JII
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BU of 8jii by Molmil
Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JIM
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BU of 8jim by Molmil
Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JIL
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BU of 8jil by Molmil
Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: CHOLESTEROL, 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:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JHY
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BU of 8jhy by Molmil
Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-25
Release date:2023-09-06
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8REV
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BU of 8rev by Molmil
Structure of XPD stalled at a Y-fork DNA containing a interstrand crosslink
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase CHL1, DNA (46-MER), ...
Authors:Kuper, J, Hove, T, Kisker, C.
Deposit date:2023-12-12
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:XPD stalled on cross-linked DNA provides insight into damage verification
Nature, 2024
8J2P
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BU of 8j2p by Molmil
Crystal structure of PML B-box2
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhou, C, Zang, N, Zhang, J.
Deposit date:2023-04-15
Release date:2023-09-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
1AIF
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BU of 1aif by Molmil
ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB FROM MOUSE
Descriptor: ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (HEAVY CHAIN), ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (LIGHT CHAIN)
Authors:Ban, N, Escobar, C, Hasel, K, Day, J, Greenwood, A, McPherson, A.
Deposit date:1994-11-14
Release date:1997-02-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of an anti-idiotypic Fab against feline peritonitis virus-neutralizing antibody and a comparison with the complexed Fab.
FASEB J., 9, 1995
1AKH
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BU of 1akh by Molmil
MAT A1/ALPHA2/DNA TERNARY COMPLEX
Descriptor: DNA (5'-D(*TP*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*C P*AP*TP*CP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MATING-TYPE PROTEIN A-1), ...
Authors:Li, T, Jin, Y, Vershon, A.K, Wolberger, C.
Deposit date:1997-05-19
Release date:1998-05-20
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the MATa1/MATalpha2 homeodomain heterodimer in complex with DNA containing an A-tract.
Nucleic Acids Res., 26, 1998
1AKK
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BU of 1akk by Molmil
SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: CYTOCHROME C, HEME C
Authors:Banci, L, Bertini, I, Gray, H.B, Luchinat, C, Reddig, T, Rosato, A, Turano, P.
Deposit date:1997-05-22
Release date:1997-09-17
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of oxidized horse heart cytochrome c.
Biochemistry, 36, 1997
1AQK
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BU of 1aqk by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
Descriptor: FAB B7-15A2
Authors:Faber, C, Fan, Z, Edmundson, A.B.
Deposit date:1997-07-30
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Three-dimensional structure of a human Fab with high affinity for tetanus toxoid.
Immunotechnology, 3, 1998
8P0M
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BU of 8p0m by Molmil
Crystal structure of TEAD3 in complex with IAG933
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-[(2~{S})-5-chloranyl-6-fluoranyl-2-phenyl-2-[(2~{S})-pyrrolidin-2-yl]-3~{H}-1-benzofuran-4-yl]-5-fluoranyl-6-(2-hydroxyethyloxy)-~{N}-methyl-pyridine-3-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Scheufler, C, Villard, F, Chau, S.
Deposit date:2023-05-10
Release date:2024-04-10
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Direct and selective pharmacological disruption of the YAP-TEAD interface by IAG933 inhibits Hippo-dependent and RAS-MAPK-altered cancers.
Nat Cancer, 2024
1BGQ
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BU of 1bgq by Molmil
RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
Descriptor: HEAT SHOCK PROTEIN 90, RADICICOL
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:1998-05-29
Release date:1999-06-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin.
J.Med.Chem., 42, 1999
8PJ7
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BU of 8pj7 by Molmil
MLLT3 in complex with compound PFI-6
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
8PJI
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BU of 8pji by Molmil
MLLT1 in complex with compound 10a
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-23
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
1FFE
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BU of 1ffe by Molmil
CONTRIBUTION OF CUTINASE SERINE 42 SIDE CHAIN TO THE STABILIZATION OF THE OXYANION TRANSITION STATE
Descriptor: CUTINASE
Authors:Cambillau, C, Martinez, C, Nicolas, A.
Deposit date:1995-10-07
Release date:1996-03-08
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Contribution of cutinase serine 42 side chain to the stabilization of the oxyanion transition state.
Biochemistry, 35, 1996
1BZY
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BU of 1bzy by Molmil
HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR
Descriptor: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER, ...
Authors:Shi, W, Li, C, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C.
Deposit date:1998-11-05
Release date:1999-06-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 A structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with a transition-state analog inhibitor.
Nat.Struct.Biol., 6, 1999
1BTL
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BU of 1btl by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI TEM1 BETA-LACTAMASE AT 1.8 ANGSTROMS RESOLUTION
Descriptor: BETA-LACTAMASE TEM1, SULFATE ION
Authors:Jelsch, C, Mourey, L, Masson, J.M, Samama, J.P.
Deposit date:1993-11-01
Release date:1995-01-26
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Escherichia coli TEM1 beta-lactamase at 1.8 A resolution.
Proteins, 16, 1993
1C7M
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BU of 1c7m by Molmil
SOLUTION STRUCTURE OF THE FUNCTIONAL DOMAIN OF PARACOCCUS DENITRIFICANS CYTOCHROME C552 IN THE REDUCED STATE
Descriptor: HEME C, PROTEIN (CYTOCHROME C552)
Authors:Pristovsek, P, Luecke, C, Reincke, B, Ludwig, B, Rueterjans, H.
Deposit date:2000-03-03
Release date:2000-07-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the functional domain of Paracoccus denitrificans cytochrome c552 in the reduced state.
Eur.J.Biochem., 267, 2000
6F6R
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BU of 6f6r by Molmil
Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
Descriptor: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
Authors:Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
Deposit date:2017-12-06
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
5IKW
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BU of 5ikw by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-03-04
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
5IP9
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BU of 5ip9 by Molmil
Structure of RNA Polymerase II-TFIIF complex
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Plaschka, C, Hantsche, M, Dienemann, C, Burzinski, C, Plitzko, J, Cramer, P.
Deposit date:2016-03-09
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Transcription initiation complex structures elucidate DNA opening.
Nature, 533, 2016

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數據於2024-05-29公開中

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