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4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
Deposit date:2012-09-19
Release date:2013-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
6NXL
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BU of 6nxl by Molmil
Ubiquitin binding variants
Descriptor: Polyubiquitin-B
Authors:Miller, D.J, Watson, E.R.
Deposit date:2019-02-08
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
2F21
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BU of 2f21 by Molmil
human Pin1 Fip mutant
Descriptor: PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jager, M, Zhang, Y, Bowman, M.E, Noel, J.P, Kelly, J.W.
Deposit date:2005-11-15
Release date:2006-06-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5IA2
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BU of 5ia2 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66
Descriptor: 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
4YTR
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BU of 4ytr by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy L-tagatose
Descriptor: 1-deoxy-L-tagatose, 1-deoxy-beta-L-tagatopyranose, D-tagatose 3-epimerase, ...
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
4YTQ
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BU of 4ytq by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy D-tagatose
Descriptor: 1-deoxy-D-tagatose, 1-deoxy-alpha-D-tagatopyranose, D-tagatose 3-epimerase, ...
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
5WEY
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BU of 5wey by Molmil
Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Kovalevsky, A, Gerlits, O.O, Woods, R.J.
Deposit date:2017-07-11
Release date:2017-09-13
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
1BCD
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BU of 1bcd by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE
Descriptor: CARBONIC ANHYDRASE II, TRIFLUOROMETHANE SULFONAMIDE, ZINC ION
Authors:Hakansson, K, Liljas, A.
Deposit date:1993-08-31
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of a complex between carbonic anhydrase II and a new inhibitor, trifluoromethane sulphonamide.
FEBS Lett., 350, 1994
4YW5
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BU of 4yw5 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
Deposit date:2015-03-20
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
4ARV
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BU of 4arv by Molmil
Yersinia kristensenii phytase apo form
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S.
Deposit date:2012-04-26
Release date:2013-05-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study.
Plos One, 8, 2013
8D7R
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BU of 8d7r by Molmil
Cryo-EM structure of human CLCF1 signaling complex: model containing the interaction core region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cardiotrophin-like cytokine factor 1, ...
Authors:Zhou, Y, Franklin, M.C.
Deposit date:2022-06-07
Release date:2023-03-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into the assembly of gp130 family cytokine signaling complexes.
Sci Adv, 9, 2023
8D7H
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BU of 8d7h by Molmil
Cryo-EM structure of human CLCF1 in complex with CRLF1 and CNTFR alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cardiotrophin-like cytokine factor 1, ...
Authors:Zhou, Y, Franklin, M.C.
Deposit date:2022-06-07
Release date:2023-03-29
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the assembly of gp130 family cytokine signaling complexes.
Sci Adv, 9, 2023
1YYD
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BU of 1yyd by Molmil
High Resolution Crystal Structure of Manganese Peroxidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L.
Deposit date:2005-02-24
Release date:2005-05-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
5I34
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BU of 5i34 by Molmil
Adenylosuccinate synthetase from Cryptococcus neoformans complexed with GDP and IMP
Descriptor: Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, INOSINIC ACID
Authors:Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B.
Deposit date:2016-02-09
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans.
Acs Infect Dis., 2, 2016
1AVG
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BU of 1avg by Molmil
THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS
Descriptor: THROMBIN, TRIABIN
Authors:Fuentes-Prior, P, Huber, R, Bode, W.
Deposit date:1997-09-16
Release date:1998-12-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the thrombin complex with triabin, a lipocalin-like exosite-binding inhibitor derived from a triatomine bug.
Proc.Natl.Acad.Sci.USA, 94, 1997
1Z3U
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BU of 1z3u by Molmil
Structure of the Angiopoietin-2 Recptor Binding Domain and Identification of Surfaces Involved in Tie2 Recognition
Descriptor: Angiopoietin-2, CALCIUM ION
Authors:Barton, W.A, Tzvetkova, D, Nikolov, D.B.
Deposit date:2005-03-14
Release date:2005-07-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the angiopoietin-2 receptor binding domain and identification of surfaces involved in Tie2 recognition.
Structure, 13, 2005
5Z02
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BU of 5z02 by Molmil
Crystal structure of HIS6-tagged Mdm2 with nutlin-3a
Descriptor: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2
Authors:Su, Z.D, Cheng, X.Y, Chen, R, Pi, N.
Deposit date:2017-12-18
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of HIS6-tagged Mdm2 with nutlin-3a
to be published
4WP4
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BU of 4wp4 by Molmil
Hev b 6.02 (hevein) extracted from surgical gloves
Descriptor: Pro-hevein, THIOUREA
Authors:Galicia, C, Rodriguez-Romero, A.
Deposit date:2014-10-17
Release date:2015-03-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Impact of the vulcanization process on the structural characteristics and IgE recognition of two allergens, Hev b 2 and Hev b 6.02, extracted from latex surgical gloves.
Mol.Immunol., 65, 2015
5CKI
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BU of 5cki by Molmil
Crystal structure of 9DB1* deoxyribozyme (Cobalt hexammine soaked crystals)
Descriptor: COBALT (II) ION, DNA (44-MER), MAGNESIUM ION, ...
Authors:Ponce-Salvatierra, A, Hoebartner, C, Pena, V.
Deposit date:2015-07-15
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.985 Å)
Cite:Crystal structure of a DNA catalyst.
Nature, 529, 2016
8CH6
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BU of 8ch6 by Molmil
Structure of a late-stage activated spliceosome (BAqr) arrested with a dominant-negative Aquarius mutant (state B complex).
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
Authors:Cretu, C, Schmitzova, J, Pena, V.
Deposit date:2023-02-07
Release date:2023-05-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis of catalytic activation in human splicing.
Nature, 617, 2023
5MZZ
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BU of 5mzz by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with 3-methylglutaconate
Descriptor: 3-methylpent-2-enedioic acid, ACETATE ION, GLYCEROL, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5N01
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BU of 5n01 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56N variant
Descriptor: ACETATE ION, GLYCEROL, Glutaconate CoA-transferase family, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
6NXK
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BU of 6nxk by Molmil
Ubiquitin binding variants
Descriptor: Anaphase-promoting complex subunit 2, Polyubiquitin-C
Authors:Miller, D.J, Watson, E.R.
Deposit date:2019-02-08
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019

238582

數據於2025-07-09公開中

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