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7KP8
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BU of 7kp8 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A
Authors:Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
6C7Z
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BU of 6c7z by Molmil
Crystal structure of the Q108K:K40L:T51V:R58F mutant of human Cellular Retinol Binding Protein II in complex with synthetic Ligand Julolidine
Descriptor: (2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal, ACETATE ION, Retinol-binding protein 2
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2018-01-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A Genetically Encoded Ratiometric pH Probe: Wavelength Regulation-Inspired Design of pH Indicators.
Chembiochem, 19, 2018
6HRT
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BU of 6hrt by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
Descriptor: (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Janson, C.
Deposit date:2018-09-28
Release date:2019-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
6HRP
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BU of 6hrp by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one
Descriptor: 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one, Tyrosine-protein kinase BTK
Authors:Janson, C, Kuglstatter, A.
Deposit date:2018-09-28
Release date:2019-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
3CWK
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BU of 3cwk by Molmil
Crystal Structure of the R132K:Y134F:R111L:T54V:L121E Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-trans-Retinoic Acid at 1.57 Angstroms Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINOIC ACID, SULFATE ION
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-04-22
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008
2XED
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BU of 2xed by Molmil
Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate
Descriptor: PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID
Authors:Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
Deposit date:2010-05-13
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase.
J.Am.Chem.Soc., 132, 2010
2XEC
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BU of 2xec by Molmil
Nocardia farcinica maleate cis-trans isomerase bound to TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PUTATIVE MALEATE ISOMERASE
Authors:Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
Deposit date:2010-05-13
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase.
J.Am.Chem.Soc., 132, 2010
3D96
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BU of 3d96 by Molmil
Crystal Structure of the R132K:Y134F Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.71 Angstroms Resolution
Descriptor: ACETATE ION, Cellular retinoic acid-binding protein 2
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008
3D95
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BU of 3d95 by Molmil
Crystal Structure of the R132K:Y134F:R111L:L121E:T54V Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.20 Angstroms Resolution
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008
3D97
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BU of 3d97 by Molmil
Crystal Structure of the R132K:R111L:L121E Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II At 1.50 Angstroms Resolution
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Determining Crystal Structures of Proteins and Protein Complexes by X-Ray Crystallography: X-Ray Crystallographic Studies of the Mutants of Cellular Retinoic Acid Binding Protein Type II Toward Designing a Mimic of Rhodopsin.
Thesis
7LSQ
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BU of 7lsq by Molmil
The Crystal Structure of Q108K:K40E:T53A:R58W:Q38F:Q4F:Y19W Mutant of HCRBPII Bound with LizFluor Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-02-18
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.67130542 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
7CGT
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BU of 7cgt by Molmil
RAMEB COMPLEX OF CYCLODEXTRIN GLYCOSYLTRANSFERASE MUTANT
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE
Authors:Parsiegla, G, Schulz, G.E.
Deposit date:1998-06-06
Release date:1998-08-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
7MFZ
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BU of 7mfz by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-12
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
7MFX
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BU of 7mfx by Molmil
The Crystal Structure of Q108K:K40H:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with FR1 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-11
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
7MFY
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BU of 7mfy by Molmil
The Crystal Structure of Q108K:K40L:T51V:T53S:R58W:Y19W:A33W:L117E Mutant of HCRBPII Bound with LizFluor
Descriptor: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, GLYCEROL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-12
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
8B7H
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BU of 8b7h by Molmil
Crystal structure of human Gremlin-1 in complex with Fab
Descriptor: Fab antibody fragment (heavy chain), Fab antibody fragment (light chain), Gremlin-1
Authors:Schulze, M.-S, Martinez-Fleites, C.
Deposit date:2022-09-30
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of ginisortamab, a potent and novel anti-gremlin-1 antibody in clinical development for the treatment of cancer.
Mabs, 15, 2023
4I9S
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BU of 4i9s by Molmil
Crystal Structure of the R111K:R132L:Y134F:T54V:R59W Mutant of the Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans Retinal at 2.58 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2012-12-05
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone.
J.Am.Chem.Soc., 135, 2013
4I9R
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BU of 4i9r by Molmil
Crystal Structure of the R111K:R132L:Y134F:T54V:R59W:A32W Mutant of the Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans Retinal at 2.6 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2012-12-05
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone.
J.Am.Chem.Soc., 135, 2013
5U6G
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BU of 5u6g by Molmil
Crystal Structure of the holo Domain-Swapped Dimer mutant Q108K:K40D Human Cellular Retinol Binding Protein II bound with all trans retinal
Descriptor: RETINAL, Retinol-binding protein 2
Authors:Assar, Z, Geiger, J.H.
Deposit date:2016-12-08
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the holo Domain-Swapped Dimer mutant Q108K:K40D Human Cellular Retinol Binding Protein II bound with all trans retinal
To Be Published
4M83
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BU of 4m83 by Molmil
Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A
Descriptor: ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ...
Authors:Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2013-08-12
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Crystal structure of macrolide glycosyltransferases OleD
To be Published
5F58
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BU of 5f58 by Molmil
Crystal structure of the Q108K:K40L:T51V:R58F mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.54 Angstrom Resolution
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nosrati, M, Nossoni, Z, Geiger, J.H.
Deposit date:2015-12-04
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the Q108K:K40L:T51V:R58F mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.54 Angstrom Resolution
To Be Published
5F6B
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BU of 5f6b by Molmil
Crystal structure of the Q108K:K40L:T51V:R58Y:Y19W mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal at 1.3 Angstrom Resolution
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nosrati, M, Nossoni, Z, Geiger, J.H.
Deposit date:2015-12-05
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal structure of the Q108K:K40L:T51V:R58Y:Y19W mutant of human Cellular Retinol Binding ProteinII in complex with All-trans-Retinal at 1.31 Angstrom Resolution
To Be Published
5FAZ
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BU of 5faz by Molmil
Crystal structure of the Q108K:K40L:T51V mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.4 Angstrom Resolution
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nosrati, M, Nossoni, Z, Geiger, J.H.
Deposit date:2015-12-13
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Q108K:K40L:T51V mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.54 Angstrom Resolution
To Be Published
2FRS
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BU of 2frs by Molmil
Crystal structure of the f15w mutant of apo-cellular retinoic acid binding protein type ii at 1.51 angstroms resolution
Descriptor: Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2006-01-20
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The structure of Apo-wild-type cellular retinoic acid binding protein II at 1.4 A and its relationship to ligand binding and nuclear translocation.
J.Mol.Biol., 363, 2006
5FEN
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BU of 5fen by Molmil
Crystal structure of the Q108K:K40L:T53C mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.55 Angstrom Resolution
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nossoni, Z, Nosrati, M, Geiger, J.H.
Deposit date:2015-12-17
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the Q108K:K40L:T53C mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal after 24 hours of incubation at 1.55 Angstrom Resolution
To Be Published

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數據於2024-06-19公開中

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