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1TC0
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BU of 1tc0 by Molmil
Ligand Induced Conformational Shifts in the N-terminal Domain of GRP94, Open Conformation Complexed with the physiological partner ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ...
Authors:Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L.
Deposit date:2004-05-20
Release date:2004-08-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
1TBW
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BU of 1tbw by Molmil
Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation
Descriptor: ADENOSINE MONOPHOSPHATE, Endoplasmin, MAGNESIUM ION, ...
Authors:Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L.
Deposit date:2004-05-20
Release date:2004-08-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
3CIB
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BU of 3cib by Molmil
Structure of BACE Bound to SCH727596
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2008-03-11
Release date:2008-06-10
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1EXE
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BU of 1exe by Molmil
SOLUTION STRUCTURE OF A MUTANT OF TRANSCRIPTION FACTOR 1.
Descriptor: TRANSCRIPTION FACTOR 1
Authors:Liu, W, Vu, H.M, Geiduschek, E.P, Kearns, D.R.
Deposit date:2000-05-02
Release date:2000-10-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a mutant of transcription factor 1: implications for enhanced DNA binding.
J.Mol.Biol., 302, 2000
1GDJ
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BU of 1gdj by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (DEOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Deoxy- and Oxy-Leghaemoglobin from Lupin
J.Mol.Biol., 251, 1995
8BIN
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BU of 8bin by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors.
J.Med.Chem., 67, 2024
1H49
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BU of 1h49 by Molmil
CRYSTAL STRUCTURE OF THE INACTIVE DOUBLE MUTANT OF THE MAIZE BETA-GLUCOSIDASE ZMGLU1-E191D-F198V IN COMPLEX WITH DIMBOA-GLUCOSIDE
Descriptor: 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, BETA-GLUCOSIDASE, beta-D-glucopyranose
Authors:Czjzek, M, Moriniere, J, Verdoucq, L, Bevan, D.R, Henrissat, B, Esen, A.
Deposit date:2003-02-25
Release date:2003-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutational and Structural Analysis of Aglycone Specificity in Maize and Sorghum Beta-Glucosidases
J.Biol.Chem., 278, 2003
8P8K
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BU of 8p8k by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a thiazolopyridine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine, Acyl-ACP thioesterase
Authors:Freigang, J.
Deposit date:2023-06-01
Release date:2023-09-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase.
J.Agric.Food Chem., 71, 2023
7REW
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BU of 7rew by Molmil
Crystal Structure of IL-13 in complex with MMAb3 Fab
Descriptor: IL13, anti-cyno interleukin 13 Fab heavy chain, anti-cyno interleukin 13 Fab light chain
Authors:Sudom, A, Min, X.
Deposit date:2021-07-13
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of a potent high-affinity human therapeutic antibody via novel application of recombination signal sequence-based affinity maturation.
J.Biol.Chem., 298, 2022
1HOZ
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BU of 1hoz by Molmil
CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX
Descriptor: CALCIUM ION, GLYCEROL, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE
Authors:Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J.
Deposit date:2000-12-12
Release date:2001-12-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
1FDY
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BU of 1fdy by Molmil
N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH HYDROXYPYRUVATE
Descriptor: 3-HYDROXYPYRUVIC ACID, N-ACETYLNEURAMINATE LYASE
Authors:Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M.
Deposit date:1996-07-08
Release date:1997-10-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
1FDZ
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BU of 1fdz by Molmil
N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH PYRUVATE VIA BOROHYDRIDE REDUCTION
Descriptor: N-ACETYLNEURAMINATE LYASE, PYRUVIC ACID
Authors:Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M.
Deposit date:1996-07-08
Release date:1997-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
6EAY
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BU of 6eay by Molmil
Structural Basis for Broad Neutralization of Ebolaviruses by an Antibody Targeting the Glycoprotein Fusion Loop
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CA45 heavy chain, CA45 light chain, ...
Authors:Janus, B.M, Ofek, G.
Deposit date:2018-08-03
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Structural basis for broad neutralization of ebolaviruses by an antibody targeting the glycoprotein fusion loop.
Nat Commun, 9, 2018
1HP0
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BU of 1hp0 by Molmil
CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX IN COMPLEX WITH THE SUBSTRATE ANALOGUE 3-DEAZA-ADENOSINE
Descriptor: 3-DEAZA-ADENOSINE, CALCIUM ION, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE
Authors:Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J.
Deposit date:2000-12-12
Release date:2001-12-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
6BOI
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BU of 6boi by Molmil
Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354
Descriptor: (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Saavedra, H, Bianchet, M.A.
Deposit date:2017-11-20
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structures and Mechanism of Inhibition of Mycobacterium tuberculosis L,D-transpeptidase 2 by Panipenem
To Be Published
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
2EUF
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BU of 2euf by Molmil
X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991
Descriptor: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, ACETATE ION, CALCIUM ION, ...
Authors:Schulze-Gahmen, U, Lu, H.
Deposit date:2005-10-28
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition.
J.Med.Chem., 49, 2006
1GDK
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BU of 1gdk by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: ISOQUINOLINE, LEGHEMOGLOBIN (ISOQUINOLINE MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Ferric Complexes of the Yellow Lupin Leghemoglobin with Isoquinoline at 1.8 Angstroms Resolution (Russian)
Bioorg.Khim., 17, 1991
6CIU
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BU of 6ciu by Molmil
Structure of a Thr-rich interface in an Azami Green tetramer
Descriptor: Azami-Green
Authors:Oi, C, Lim, C.S, Knecht, K.M, Xiong, Y, Regan, L.
Deposit date:2018-02-25
Release date:2018-09-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A threonine zipper that mediates protein-protein interactions: Structure and prediction.
Protein Sci., 27, 2018
1GDI
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BU of 1gdi by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: CARBON MONOXIDE, LEGHEMOGLOBIN (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The binding of carbon monoxide and nitric oxide to leghaemoglobin in comparison with other haemoglobins.
J.Mol.Biol., 264, 1996
1GDL
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BU of 1gdl by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (NITROGEN MONOXY), NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The binding of carbon monoxide and nitric oxide to leghaemoglobin in comparison with other haemoglobins.
J.Mol.Biol., 264, 1996
2FZP
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BU of 2fzp by Molmil
Crystal structure of the USP8 interaction domain of human NRDP1
Descriptor: ring finger protein 41 isoform 1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-02-10
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
2GDM
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BU of 2gdm by Molmil
LEGHEMOGLOBIN (OXY)
Descriptor: LEGHEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E.H, Safonova, T.N, Kuranova, I.P, Popov, A.N, Teplyakov, A.V, Obmolova, G.V, Rusakov, A.A, Dodson, G.G, Wilson, J.C, Perutz, M.F.
Deposit date:1994-09-14
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Deoxy-and Oxy-Leghaemoglobin from Lupin
J.Mol.Biol., 251, 1995
1INN
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BU of 1inn by Molmil
CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1KBY
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BU of 1kby by Molmil
Structure of Photosynthetic Reaction Center with bacteriochlorophyll-bacteriopheophytin heterodimer
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Camara-Artigas, A, Magee, C, Goetsch, A, Allen, J.P.
Deposit date:2001-11-07
Release date:2002-11-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of the heterodimer reaction center from Rhodobacter sphaeroides at 2.55 a resolution.
Photosynth.Res., 74, 2002

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數據於2024-09-25公開中

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