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4TW7
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BU of 4tw7 by Molmil
The Fk1 domain of FKBP51 in complex with iFit4
Descriptor: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
1FBX
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CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I
Descriptor: CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION
Authors:Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
Deposit date:2000-07-17
Release date:2001-02-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FB1
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CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I
Descriptor: GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION
Authors:Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
Deposit date:2000-07-14
Release date:2000-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
1H2C
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BU of 1h2c by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant).
Descriptor: 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40
Authors:Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
Deposit date:2002-08-05
Release date:2003-04-10
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
1H2D
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Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant).
Descriptor: 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40
Authors:Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
Deposit date:2002-08-06
Release date:2003-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
7APW
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The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-20
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
2WVW
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BU of 2wvw by Molmil
Cryo-EM structure of the RbcL-RbcX complex
Descriptor: RBCX PROTEIN, RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN
Authors:Liu, C, Young, A.L, Starling-Windhof, A, Bracher, A, Saschenbrecker, S, Rao, B.V, Rao, K.V, Berninghausen, O, Mielke, T, Hartl, F.U, Beckmann, R, Hayer-Hartl, M.
Deposit date:2009-10-20
Release date:2010-01-19
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Coupled Chaperone Action in Folding and Assembly of Hexadecameric Rubisco
Nature, 463, 2010
2AZ1
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Structure of a halophilic nucleoside diphosphate kinase from Halobacterium salinarum
Descriptor: CALCIUM ION, Nucleoside diphosphate kinase
Authors:Besir, H, Zeth, K, Bracher, A, Heider, U, Ishibashi, M, Tokunaga, M, Oesterhelt, D.
Deposit date:2005-09-09
Release date:2005-12-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of a halophilic nucleoside diphosphate kinase from Halobacterium salinarum
Febs Lett., 579, 2005
2AZ3
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Structure of a halophilic nucleoside diphosphate kinase from Halobacterium salinarum in complex with CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Besir, H, Zeth, K, Bracher, A, Heider, U, Ishibashi, M, Tokunaga, M, Oesterhelt, D.
Deposit date:2005-09-09
Release date:2005-12-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a halophilic nucleoside diphosphate kinase from Halobacterium salinarum
Febs Lett., 579, 2005
1XQS
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Crystal structure of the HspBP1 core domain complexed with the fragment of Hsp70 ATPase domain
Descriptor: ADENOSINE MONOPHOSPHATE, HSPBP1 protein, Heat shock 70 kDa protein 1
Authors:Shomura, Y, Dragovic, Z, Chang, H.C, Tzvetkov, N, Young, J.C, Brodsky, J.L, Guerriero, V, Hartl, F.U, Bracher, A.
Deposit date:2004-10-13
Release date:2005-03-01
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Regulation of Hsp70 Function by HspBP1; Structural Analysis Reveals an Alternate Mechanism for Hsp70 Nucleotide Exchange
Mol.Cell, 17, 2005
1XQR
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Crystal structure of the HspBP1 core domain
Descriptor: HspBP1 protein
Authors:Shomura, Y, Dragovic, Z, Chang, H.C, Tzvetkov, N, Young, J.C, Brodsky, J.L, Guerriero, V, Hartl, F.U, Bracher, A.
Deposit date:2004-10-13
Release date:2005-03-01
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regulation of Hsp70 Function by HspBP1; Structural Analysis Reveals an Alternate Mechanism for Hsp70 Nucleotide Exchange
Mol.Cell, 17, 2005
5OBK
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BU of 5obk by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F.
Deposit date:2017-06-28
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.
J. Med. Chem., 61, 2018
2FSJ
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BU of 2fsj by Molmil
Crystal structure of Ta0583, an archaeal actin homolog, native data
Descriptor: GLYCEROL, hypothetical protein Ta0583
Authors:Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
Deposit date:2006-01-23
Release date:2006-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
2FSN
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Crystal structure of Ta0583, an archaeal actin homolog, complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, hypothetical protein Ta0583
Authors:Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
Deposit date:2006-01-23
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
2I5K
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BU of 2i5k by Molmil
Crystal structure of Ugp1p
Descriptor: UTP--glucose-1-phosphate uridylyltransferase
Authors:Roeben, A, Plitzko, J.M, Koerner, R, Boettcher, U.M.K, Siegers, K, Hayer-Hartl, M, Bracher, A.
Deposit date:2006-08-25
Release date:2006-11-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Subunit Assembly in UDP-glucose Pyrophosphorylase from Saccharomyces cerevisiae
J.Mol.Biol., 364, 2006
7AWF
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The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
Descriptor: (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
Deposit date:2020-11-07
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
7AOU
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The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone
Descriptor: (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
Deposit date:2020-10-15
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
2FSK
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Crystal structure of Ta0583, an archaeal actin homolog, SeMet data
Descriptor: hypothetical protein Ta0583
Authors:Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
Deposit date:2006-01-23
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
4WT3
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The N-terminal domain of Rubisco Accumulation Factor 1 from Arabidopsis thaliana
Descriptor: Rubisco Accumulation Factor 1, isoform 2
Authors:Hauser, T, Bhat, J.Y, Milicic, G, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
Deposit date:2014-10-29
Release date:2015-07-22
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Structure and mechanism of the Rubisco-assembly chaperone Raf1.
Nat.Struct.Mol.Biol., 22, 2015
4WT4
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The C-terminal domain of Rubisco Accumulation Factor 1 from Arabidopsis thaliana, crystal form I
Descriptor: PHOSPHATE ION, Rubisco Accumulation Factor 1, isoform 2
Authors:Hauser, T, Bhat, J.Y, Milicic, G, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
Deposit date:2014-10-29
Release date:2015-07-22
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure and mechanism of the Rubisco-assembly chaperone Raf1.
Nat.Struct.Mol.Biol., 22, 2015
4WT5
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The C-terminal domain of Rubisco Accumulation Factor 1 from Arabidopsis thaliana, crystal form II
Descriptor: Rubisco Accumulation Factor 1, isoform 2
Authors:Hauser, T, Bhat, J.Y, Milicic, G, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
Deposit date:2014-10-29
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.568 Å)
Cite:Structure and mechanism of the Rubisco-assembly chaperone Raf1.
Nat.Struct.Mol.Biol., 22, 2015
1N3R
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BU of 1n3r by Molmil
Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I
Descriptor: GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE
Authors:Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M.
Deposit date:2002-10-29
Release date:2003-10-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
1N3S
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Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I
Descriptor: GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE
Authors:Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M.
Deposit date:2002-10-29
Release date:2004-03-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
1N3T
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BU of 1n3t by Molmil
Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I
Descriptor: GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE
Authors:Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M.
Deposit date:2002-10-29
Release date:2003-10-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
6SAF
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BU of 6saf by Molmil
The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl 1-((1R,4aR,8aR)-4-oxodecahydronaphthalene-1-carbonyl)piperidine-2-carboxylate
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
Authors:Feng, X, Sippel, C, Knaup, F, Bracher, A, Staibano, S, Romano, M.F, Hausch, F.
Deposit date:2019-07-16
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.
J.Med.Chem., 63, 2020

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