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All PDB entries with X-ray structure factor data
4Y5G
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BU of 4y5g by Molmil
Endothiapepsin in complex with fragment 272
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-11
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4Y5I
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BU of 4y5i by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 126B with 14-3-3sigma
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Microtubule-associated protein tau
Authors:Leysen, S, Bartel, M, Milroy, L, Brunsveld, L, Ottmann, C.
Deposit date:2015-02-11
Release date:2016-01-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y5J
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BU of 4y5j by Molmil
Drosophila melanogaster Mini spindles TOG3
Descriptor: MINI SPINDLES TOG3
Authors:Slep, K.C, Howard, A.E.
Deposit date:2015-02-11
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Drosophila melanogaster Mini Spindles TOG3 Utilizes Unique Structural Elements to Promote Domain Stability and Maintain a TOG1- and TOG2-like Tubulin-binding Surface.
J.Biol.Chem., 290, 2015
4Y5K
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BU of 4y5k by Molmil
Endothiapepsin in complex with fragment 274
Descriptor: (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
4Y5L
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BU of 4y5l by Molmil
Endothiapepsin in its apo form
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5M
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BU of 4y5m by Molmil
Endothiapepsin in complex with fragment 328
Descriptor: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5N
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BU of 4y5n by Molmil
Endothiapepsin in complex with fragment 337
Descriptor: 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5O
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BU of 4y5o by Molmil
CCM2 HHD in complex with MEKK3 NPB1
Descriptor: Malcavernin, Mitogen-activated protein kinase kinase kinase 3
Authors:Fisher, O.S, Boggon, T.J.
Deposit date:2015-02-11
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and vascular function of MEKK3-cerebral cavernous malformations 2 complex.
Nat Commun, 6, 2015
4Y5P
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BU of 4y5p by Molmil
Endothiapepsin in complex with fragment 338
Descriptor: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.229 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
4Y5R
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BU of 4y5r by Molmil
Crystal Structure of a T67A MauG/pre-Methylamine Dehydrogenase Complex
Descriptor: CALCIUM ION, HEME C, Methylamine dehydrogenase heavy chain, ...
Authors:Li, C, Wilmot, C.M.
Deposit date:2015-02-11
Release date:2015-06-17
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A T67A mutation in the proximal pocket of the high-spin heme of MauG stabilizes formation of a mixed-valent Fe(II)/Fe(III) state and enhances charge resonance stabilization of the bis-Fe(IV) state.
Biochim.Biophys.Acta, 1847, 2015
4Y5S
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BU of 4y5s by Molmil
Structure of FtmOx1 with a-Ketoglutarate as co-substrate
Descriptor: 2-OXOGLUTARIC ACID, COBALT (II) ION, FE (II) ION, ...
Authors:Yan, W, Zhang, Y.
Deposit date:2015-02-12
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Nature, 527, 2015
4Y5T
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BU of 4y5t by Molmil
Structure of FtmOx1 apo with metal Iron
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, FE (II) ION, ...
Authors:Yan, W, Zhang, Y.
Deposit date:2015-02-12
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Nature, 527, 2015
4Y5U
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BU of 4y5u by Molmil
Transcription factor
Descriptor: NICKEL (II) ION, Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5V
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BU of 4y5v by Molmil
Diabody 305 complex with EpoR
Descriptor: DI(HYDROXYETHYL)ETHER, Diabody 305 VL domain, Erythropoietin receptor, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-04-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5X
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BU of 4y5x by Molmil
Diabody 305 complex with EpoR
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, Erythropoietin receptor, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-03-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
4Y5Y
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BU of 4y5y by Molmil
Diabody 330 complex with EpoR
Descriptor: Erythropoietin receptor, GLYCEROL, diabody 330 VH domain, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
4Y5Z
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BU of 4y5z by Molmil
T=1 capsid structure of SeMV Ndel65CP fused with B-domain of S. aureus protein SpA at the N-terminus (P1 crystal form)
Descriptor: Immunoglobulin G-binding protein A,Coat protein, SULFATE ION
Authors:Gulati, A, Murthy, M.R.N.
Deposit date:2015-02-12
Release date:2016-01-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural studies on chimeric Sesbania mosaic virus coat protein: Revisiting SeMV assembly.
Virology, 489, 2015
4Y60
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BU of 4y60 by Molmil
Structure of SOX18-HMG/PROX1-DNA
Descriptor: DNA (5'-D(*CP*AP*CP*TP*AP*GP*CP*AP*TP*TP*GP*TP*CP*TP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*AP*GP*AP*CP*AP*AP*TP*GP*CP*TP*AP*GP*T)-3'), Transcription factor SOX-18
Authors:Narasimhan, K, Prokoph, N, Kolatkar, P, Robinson, H, Jauch, R.
Deposit date:2015-02-12
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and decoy-mediated inhibition of the SOX18/Prox1-DNA interaction.
Nucleic Acids Res., 44, 2016
4Y61
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BU of 4y61 by Molmil
Crystal structure of the complex between Slitrk2 LRR1 and PTP delta Ig1-Fn1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase delta, SLIT and NTRK-like protein 2
Authors:Yamgata, A, Sato, Y, Goto-Ito, S, Uemura, T, Maeda, A, Shiroshima, T, Yoshida, T, Fukai, S.
Deposit date:2015-02-12
Release date:2015-06-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.358 Å)
Cite:Structure of Slitrk2-PTP delta complex reveals mechanisms for splicing-dependent trans-synaptic adhesion.
Sci Rep, 5, 2015
4Y62
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BU of 4y62 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y63
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BU of 4y63 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y64
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BU of 4y64 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015

239149

数据于2025-07-23公开中

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