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6Z0X
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BU of 6z0x by Molmil
HtrA1 inactive protease domain S328A with CARASIL mutations D174R R274Q
Descriptor: SULFATE ION, Serine protease HTRA1
Authors:Vetter, I.R, Stege, P, Ingendahl, L, Ehrmann, M.
Deposit date:2020-05-11
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Repair strategies addressing pathogenic protein conformations
To Be Published
6Z0Y
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BU of 6z0y by Molmil
HtrA1 inactive protease domain S328A with CARASIL mutations D174R R274Q
Descriptor: SULFATE ION, Serine protease HTRA1
Authors:Vetter, I.R, Stege, P, Ingendahl, L, Ehrmann, M.
Deposit date:2020-05-11
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Repair strategies addressing pathogenic protein conformations
To Be Published
6ZRD
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BU of 6zrd by Molmil
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: 1,3,5-trimethylbenzene, Histone-binding protein RBBP4, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZRC
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BU of 6zrc by Molmil
Structure of the human RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: Histone-binding protein RBBP4, PARA-XYLENE, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
5LSK
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BU of 5lsk by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX
Descriptor: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
Authors:Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
Deposit date:2016-09-02
Release date:2016-11-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
3U0V
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BU of 3u0v by Molmil
Crystal Structure Analysis of human LYPLAL1
Descriptor: Lysophospholipase-like protein 1
Authors:Burger, M, Zimmermann, T.J, Kondoh, Y, Stege, P, Watanabe, N, Osada, H, Waldmann, H, Vetter, I.R.
Deposit date:2011-09-29
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of the predicted phospholipase LYPLAL1 reveals unexpected functional plasticity despite close relationship to acyl protein thioesterases
J.Lipid Res., 53, 2012
8RKR
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BU of 8rkr by Molmil
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
Authors:Porfetye, A.T, Vetter, I.R.
Deposit date:2023-12-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
8RKQ
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BU of 8rkq by Molmil
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with the molecular tweezer CLR01
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial
Authors:Porfetye, A.T, Vetter, I.R.
Deposit date:2023-12-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
6EQT
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BU of 6eqt by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE PROTEIN CENP-N
Descriptor: Centromere protein N
Authors:Pentakota, S, Vetter, I.R, Petrovic, A, Musacchio, A.
Deposit date:2017-10-15
Release date:2018-01-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.735 Å)
Cite:Decoding the centromeric nucleosome through CENP-N.
Elife, 6, 2017
3KUD
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BU of 3kud by Molmil
Complex of Ras-GDP with RafRBD(A85K)
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Filchtinski, D, Sharabi, O, Rueppel, A, Vetter, I.R, Herrmann, C, Shifman, J.M.
Deposit date:2009-11-27
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:What makes Ras an efficient molecular switch: a computational, biophysical, and structural study of Ras-GDP interactions with mutants of Raf.
J.Mol.Biol., 399, 2010
3KUC
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BU of 3kuc by Molmil
Complex of Rap1A(E30D/K31E)GDP with RafRBD(A85K/N71R)
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Filchtinski, D, Sharabi, O, Rueppel, A, Vetter, I.R, Herrmann, C, Shifman, J.M.
Deposit date:2009-11-27
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:What makes Ras an efficient molecular switch: a computational, biophysical, and structural study of Ras-GDP interactions with mutants of Raf.
J.Mol.Biol., 399, 2010
2RFO
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BU of 2rfo by Molmil
Crystral Structure of the nucleoporin Nic96
Descriptor: Nucleoporin NIC96
Authors:Schrader, N, Stelter, P, Flemming, D, Kunze, K, Hurt, E, Vetter, I.R.
Deposit date:2007-10-01
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the nic96 subcomplex organization in the nuclear pore channel.
Mol.Cell, 29, 2008
1K5D
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BU of 1k5d by Molmil
Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex
Descriptor: GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
Deposit date:2001-10-10
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
1K5G
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BU of 1k5g by Molmil
Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex
Descriptor: ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
Deposit date:2001-10-10
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
8P0S
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BU of 8p0s by Molmil
Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Rho-associated protein kinase 1
Authors:Dubey, B.N, Dvorsky, R, Gremer, L, Vetter, I.R, Schmitt, L, Groth, G, Ahmadian, M.R.
Deposit date:2023-05-10
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into the p160 Rho-associated coiled-coil-containing protein kinase
To Be Published
3L8Y
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BU of 3l8y by Molmil
Complex of Ras with cyclen
Descriptor: 1,4,7,10-tetraazacyclododecane, CALCIUM ION, GTPase HRas, ...
Authors:Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R.
Deposit date:2010-01-04
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes
Angew.Chem.Int.Ed.Engl., 49, 2010
3L8Z
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BU of 3l8z by Molmil
H-Ras wildtype new crystal form
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R.
Deposit date:2010-01-04
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes
Angew.Chem.Int.Ed.Engl., 49, 2010
3LVQ
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BU of 3lvq by Molmil
The crystal structure of ASAP3 in complex with Arf6 in transition state
Descriptor: ALUMINUM FLUORIDE, Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 3, ...
Authors:Ismail, S.A, Vetter, I.R, Sot, B, Wittinghofer, A.
Deposit date:2010-02-22
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:The structure of an Arf-ArfGAP complex reveals a Ca2+ regulatory mechanism
Cell(Cambridge,Mass.), 141, 2010
3LVR
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BU of 3lvr by Molmil
The crystal structure of ASAP3 in complex with Arf6 in transition state soaked with Calcium
Descriptor: ALUMINUM FLUORIDE, Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 3, ...
Authors:Ismail, S.A, Vetter, I.R, Sot, B, Wittinghofer, A.
Deposit date:2010-02-22
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:The structure of an Arf-ArfGAP complex reveals a Ca2+ regulatory mechanism
Cell(Cambridge,Mass.), 141, 2010
2K0C
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BU of 2k0c by Molmil
Zinc-finger 2 of Nup153
Descriptor: Nuclear pore complex protein Nup153, ZINC ION
Authors:Bangert, J.A, Schrader, N, Vetter, I.R, Stoll, R.
Deposit date:2008-01-31
Release date:2008-07-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Crystal Structure of the Ran-Nup153ZnF2 Complex: a General Ran Docking Site at the Nuclear Pore Complex.
Structure, 16, 2008
5IH4
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BU of 5ih4 by Molmil
Human Casein Kinase 1 isoform delta apo (kinase domain)
Descriptor: Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, SULFATE ION, ...
Authors:Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
Deposit date:2016-02-29
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
5IH5
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BU of 5ih5 by Molmil
Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A
Descriptor: 6-(3-chlorophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ...
Authors:Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
Deposit date:2016-02-29
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
5IH6
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BU of 5ih6 by Molmil
Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A derivative
Descriptor: 6-(3-bromophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ...
Authors:Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
Deposit date:2016-02-29
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
4F0G
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BU of 4f0g by Molmil
Crystal Structure of the Roco4 Kinase Domain from D. discoideum
Descriptor: Serine/threonine-protein kinase roco4
Authors:Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A.
Deposit date:2012-05-04
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F0F
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BU of 4f0f by Molmil
Crystal Structure of the Roco4 Kinase Domain bound to AppCp from D. discoideum
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Serine/threonine-protein kinase roco4
Authors:Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A.
Deposit date:2012-05-04
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012

221051

數據於2024-06-12公開中

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