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1JAF
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BU of 1jaf by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RHODOCYCLUS GELATINOSUS AT 2.5 ANGSTOMS RESOLUTION
Descriptor: CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE
Authors:Archer, M, Banci, L, Dikaya, E, Romao, M.J.
Deposit date:1997-06-24
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Cytochrome C' from Rhodocyclus Gelatinosus and Comparison with Other Cytochromes C'
J.Biol.Inorg.Chem., 2, 1997
6HIN
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BU of 6hin by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, F conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
Deposit date:2018-08-30
Release date:2018-11-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
6HIO
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BU of 6hio by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, I1 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
Deposit date:2018-08-30
Release date:2018-11-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
6HIS
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BU of 6his by Molmil
Mouse serotonin 5-HT3 receptor, tropisetron-bound, T conformation
Descriptor: (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
Deposit date:2018-08-30
Release date:2018-11-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
1AIL
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BU of 1ail by Molmil
N-TERMINAL FRAGMENT OF NS1 PROTEIN FROM INFLUENZA A VIRUS
Descriptor: NONSTRUCTURAL PROTEIN NS1
Authors:Liu, J, Lynch, P.A, Chien, C, Montelione, G.T, Krug, R.M, Berman, H.M.
Deposit date:1997-04-21
Release date:1997-10-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the unique RNA-binding domain of the influenza virus NS1 protein.
Nat.Struct.Biol., 4, 1997
6IAV
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BU of 6iav by Molmil
CO-AZURIN FROM PSEUDOMONAS AERUGINOSA TREATED WITH HYDROSULFIDE
Descriptor: Azurin, CALCIUM ION, COBALT (II) ION
Authors:Palm, G.J, Kohlhause, D.
Deposit date:2018-11-27
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azurin and HS-: towards implementation of a sensor for HS- detection.
Eur J Inorg Chem, 2019
3EL9
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BU of 3el9 by Molmil
Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V)
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N, Schiffer, C.
Deposit date:2008-09-21
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
6RLY
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BU of 6rly by Molmil
Human MMP12 (catalytic domain) in complex with AP316
Descriptor: 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V, Fragai, M, Luchinat, C.
Deposit date:2019-05-03
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases.
Bioorg.Med.Chem., 27, 2019
3EL4
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BU of 3el4 by Molmil
Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
Authors:Prabu-Jeyabalan, M, King, N, Schiffer, C.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
5MVX
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BU of 5mvx by Molmil
Human DLL4 C2-EGF3
Descriptor: Delta-like protein 4, alpha-L-fucopyranose
Authors:Suckling, R.J, Handford, P.A, Lea, S.M.
Deposit date:2017-01-17
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MW7
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BU of 5mw7 by Molmil
Human Jagged2 C2-EGF3
Descriptor: Protein jagged-2, alpha-L-fucopyranose
Authors:Suckling, R.J, Handford, P.A, Lea, S.M.
Deposit date:2017-01-18
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MWB
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BU of 5mwb by Molmil
Human Notch-2 EGF11-13
Descriptor: CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ...
Authors:Suckling, R.J, Handford, P.A, Lea, S.M.
Deposit date:2017-01-18
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MWF
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BU of 5mwf by Molmil
Human Jagged2 C2-EGF2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Suckling, R.J, Handford, P.A, Lea, S.M.
Deposit date:2017-01-18
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5GXG
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BU of 5gxg by Molmil
High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M.
Deposit date:2016-09-17
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of productive and futile encounters in an electron transfer protein complex
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MW5
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BU of 5mw5 by Molmil
Human Jagged2 C2-EGF2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2
Authors:Suckling, R.J, Handford, P.A, Lea, S.M.
Deposit date:2017-01-18
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
4MB8
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BU of 4mb8 by Molmil
Evolutionary history and metabolic insights of ancient mammalian uricases
Descriptor: ACETATE ION, Uricase
Authors:Ortlund, E.O, Murphy, M.N.
Deposit date:2013-08-19
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4009 Å)
Cite:Evolutionary history and metabolic insights of ancient mammalian uricases.
Proc.Natl.Acad.Sci.USA, 111, 2014
6I57
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BU of 6i57 by Molmil
NMR structure of the third TPR domain of the human SPAG1 protein
Descriptor: Sperm-associated antigen 1
Authors:Chagot, M.E, Quinternet, M.
Deposit date:2018-11-13
Release date:2019-06-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Binding properties of the quaternary assembly protein SPAG1.
Biochem.J., 476, 2019
3DSH
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BU of 3dsh by Molmil
Crystal structure of dimeric interferon regulatory factor 5 (IRF-5) transactivation domain
Descriptor: Interferon regulatory factor 5
Authors:Chen, W, Lam, S.S, Srinath, H, Jiang, Z, Correia, J.J, Schiffer, C, Fitzgerald, K.A, Lin, K, Royer Jr, W.E.
Deposit date:2008-07-12
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5.
Nat.Struct.Mol.Biol., 15, 2008
3NXA
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BU of 3nxa by Molmil
X-ray structure of the apo form of human S100A16
Descriptor: Protein S100-A16
Authors:Calderone, V.
Deposit date:2010-07-13
Release date:2010-11-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
6HIQ
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BU of 6hiq by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, I2 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
Deposit date:2018-08-30
Release date:2018-11-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
1B0Y
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BU of 1b0y by Molmil
MUTANT H42Q OF HIPIP FROM CHROMATIUM VINOSUM AT 0.93A
Descriptor: IRON/SULFUR CLUSTER, PROTEIN (HIPIP)
Authors:Sheldrick, G.M.
Deposit date:1998-11-15
Release date:1998-12-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution.
Acta Crystallogr.,Sect.D, 55, 1999
8SVY
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BU of 8svy by Molmil
MBP-Mcl1 in complex with ligand 10
Descriptor: (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Miller, B.R, Shaffer, P.
Deposit date:2023-05-17
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
6RD0
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BU of 6rd0 by Molmil
Human MMP12 catalytic domain in complex with AP280
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V, Fragai, M, Luchinat, C.
Deposit date:2019-04-12
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases.
Bioorg.Med.Chem., 27, 2019
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:King, N, Prabu-Jeyabalan, M, Schiffer, C.
Deposit date:2008-09-20
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
4DGN
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BU of 4dgn by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2012-01-26
Release date:2012-08-01
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012

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