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3DD5
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BU of 3dd5 by Molmil
Glomerella cingulata E600-cutinase complex
分子名称: Cutinase, DIETHYL PHOSPHONATE
著者Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
登録日2008-06-05
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3DCN
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BU of 3dcn by Molmil
Glomerella cingulata apo cutinase
分子名称: Cutinase
著者Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
登録日2008-06-04
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3DEA
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BU of 3dea by Molmil
Glomerella cingulata PETFP-cutinase complex
分子名称: 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase
著者Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
登録日2008-06-09
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
5ZCK
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BU of 5zck by Molmil
Structure of the RIP3 core region
分子名称: SODIUM ION, peptide from Receptor-interacting serine/threonine-protein kinase 3
著者Li, J, Wu, H.
登録日2018-02-18
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献The Structure of the Necrosome RIPK1-RIPK3 Core, a Human Hetero-Amyloid Signaling Complex.
Cell, 173, 2018
1WPP
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BU of 1wpp by Molmil
Structure of Streptococcus gordonii inorganic pyrophosphatase
分子名称: CHLORIDE ION, Probable manganese-dependent inorganic pyrophosphatase, SULFATE ION, ...
著者Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
登録日2004-09-09
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
1WPN
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Crystal structure of the N-terminal core of Bacillus subtilis inorganic pyrophosphatase
分子名称: MANGANESE (II) ION, Manganese-dependent inorganic pyrophosphatase, SULFATE ION
著者Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
登録日2004-09-09
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
1WPM
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Structure of Bacillus subtilis inorganic pyrophosphatase
分子名称: Manganese-dependent inorganic pyrophosphatase, SULFATE ION, TETRAETHYLENE GLYCOL
著者Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
登録日2004-09-09
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
5OEW
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BU of 5oew by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538
分子名称: 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ...
著者Larsen, A.P, Frydenvang, K.A, Kastrup, J.S.
登録日2017-07-10
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
2AUC
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BU of 2auc by Molmil
Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor
分子名称: Myosin A, Myosin A Tail Interacting Protein
著者Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-08-27
公開日2006-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5KUY
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BU of 5kuy by Molmil
Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Designed influenza inhibitor HSB.2A, ...
著者Bernard, S.M, Wilson, I.A.
登録日2016-07-13
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5LXS
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BU of 5lxs by Molmil
Tubulin-KS-1-199-32 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Steinmetz, M.O.
登録日2016-09-22
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
5LXT
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BU of 5lxt by Molmil
Tubulin-Discodermolide complex
分子名称: (+)-Discodermolide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E, Steinmetz, M.O.
登録日2016-09-22
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
5MP6
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BU of 5mp6 by Molmil
Structure of the Unliganded Fab from HIV-1 Neutralizing Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface, at two Angstrom resolution.
分子名称: CAP248-2B Heavy Chain, CAP248-2B Light Chain, SULFATE ION
著者Wibmer, C.K, Gorman, J, Kwong, P.D.
登録日2016-12-15
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.959 Å)
主引用文献Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape.
PLoS Pathog., 13, 2017
5M5Q
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BU of 5m5q by Molmil
COPS5(2-257) IN COMPLEX WITH A AZAINDOLE (COMPOUND 4)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one, COP9 signalosome complex subunit 5, ...
著者Renatus, M, Altmann, E.
登録日2016-10-22
公開日2017-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Azaindoles as Zinc-Binding Small-Molecule Inhibitors of the JAMM Protease CSN5.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NNW
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BU of 5nnw by Molmil
NLPPya in complex with glucosamine
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose, 25 kDa protein elicitor, MAGNESIUM ION
著者Podobnik, M, Anderluh, G, Lenarcic, T.
登録日2017-04-10
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
5NO9
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BU of 5no9 by Molmil
NLPPya in complex with mannosamine
分子名称: 2-amino-2-deoxy-alpha-D-mannopyranose, 25 kDa protein elicitor, MAGNESIUM ION
著者Podobnik, M, Anderluh, G, Lenarcic, T.
登録日2017-04-11
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
5M45
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BU of 5m45 by Molmil
Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus
分子名称: 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Kabasakal, B.V, Wells, J.N, Nwaobi, B.C, Eilers, B.J, Peters, J.W, Murray, J.W.
登録日2016-10-18
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Sci Rep, 7, 2017
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
分子名称: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Martin, M.P, Noble, M.E.M.
登録日2016-08-19
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5NPT
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BU of 5npt by Molmil
Structure of the N-terminal domain of the yeast telomerase reverse transcriptase
分子名称: Telomerase reverse transcriptase
著者Rodina, E.V, Lebedev, A.A, Hakanpaa, J, Hackenberg, C, Petrova, O.A, Zvereva, M.I, Dontsova, O.A, Lamzin, V.S.
登録日2017-04-18
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and function of the N-terminal domain of the yeast telomerase reverse transcriptase.
Nucleic Acids Res., 46, 2018
1FFQ
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BU of 1ffq by Molmil
CRYSTAL STRUCTURE OF CHITINASE A COMPLEXED WITH ALLOSAMIDIN
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE A
著者Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K.
登録日2000-07-26
公開日2003-02-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin.
Acta Crystallogr.,Sect.D, 59, 2003
2MUS
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BU of 2mus by Molmil
HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
分子名称: 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s
著者Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A.
登録日2014-09-16
公開日2017-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
1FLR
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BU of 1flr by Molmil
4-4-20 FAB FRAGMENT
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 4-4-20 (IG*G2A=KAPPA=) FAB FRAGMENT
著者Whitlow, M.
登録日1995-01-19
公開日1995-09-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 A structure of anti-fluorescein 4-4-20 Fab.
Protein Eng., 8, 1995
4XRT
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BU of 4xrt by Molmil
Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway
分子名称: FORMIC ACID, StfQ Aromatase/Cyclase
著者Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
登録日2015-01-21
公開日2015-12-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XRW
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Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL
著者Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
登録日2015-01-21
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WMU
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STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A
分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ...
著者Clifton, M.C, Faiman, J.W.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015

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