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8IRD
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BU of 8ird by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 20-nanosecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRG
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BU of 8irg by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR7
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BU of 8ir7 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-nanosecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR6
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BU of 8ir6 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 20-nanosecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRB
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BU of 8irb by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRH
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BU of 8irh by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-microsecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRE
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BU of 8ire by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-nanosecond delay
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, H, Suga, M, Shen, J.R.
Deposit date:2023-03-17
Release date:2024-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
3MWU
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BU of 3mwu by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95
Descriptor: 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-05-06
Release date:2010-07-21
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
8XUC
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BU of 8xuc by Molmil
Crystal structure of AtHPPD + ZJ-1 complex
Descriptor: (1~{S},5~{R})-3-(3-chloranyl-1-ethyl-pyrrolo[2,3-b]pyridin-4-yl)carbonyl-4-oxidanyl-bicyclo[3.2.1]oct-3-en-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2024-01-12
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of AtHPPD + ZJ-1 complex
To Be Published
6FY4
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BU of 6fy4 by Molmil
Structure of human NAD(P) H:quinone oxidoreductase in complex with N-(2-bromophenyl)pyrrolidine-1-sulfonamide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-(2-bromophenyl)pyrrolidine-1-sulfonamide, NAD(P)H dehydrogenase [quinone] 1
Authors:Gruber, K, Hromic, A.
Deposit date:2018-03-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A small molecule chaperone rescues the stability and activity of a cancer-associated variant of NAD(P)H:quinone oxidoreductase 1 in vitro.
Febs Lett., 594, 2020
4R52
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BU of 4r52 by Molmil
1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Geng, J, Gumpper, R.H, Huo, L, Liu, A.
Deposit date:2014-08-20
Release date:2016-03-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To be Published
3H1L
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BU of 3h1l by Molmil
Chicken cytochrome BC1 complex with ascochlorin bound at QO and QI sites
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde, CARDIOLIPIN, ...
Authors:Berry, E.A, Huang, L.S, Minagawa, N.
Deposit date:2009-04-12
Release date:2010-01-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Ascochlorin is a novel, specific inhibitor of the mitochondrial cytochrome bc(1) complex.
Biochim.Biophys.Acta, 1797, 2010
3H1K
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BU of 3h1k by Molmil
Chicken cytochrome BC1 complex with ZN++ and an iodinated derivative of kresoxim-methyl bound
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
Authors:Berry, E.A, Zhang, Z, Bellamy, H.D, Huang, L.S.
Deposit date:2009-04-12
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Crystallographic location of two Zn(2+)-binding sites in the avian cytochrome bc(1) complex
Biochim.Biophys.Acta, 1459, 2000
1SLC
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BU of 1slc by Molmil
X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES
Descriptor: BOVINE GALECTIN-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bourne, Y, Cambillau, C.
Deposit date:1994-03-12
Release date:1995-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crosslinking of mammalian lectin (galectin-1) by complex biantennary saccharides.
Nat.Struct.Biol., 1, 1994
1SLB
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BU of 1slb by Molmil
X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES
Descriptor: BOVINE GALECTIN-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bourne, Y, Cambillau, C.
Deposit date:1994-03-12
Release date:1995-01-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crosslinking of mammalian lectin (galectin-1) by complex biantennary saccharides.
Nat.Struct.Biol., 1, 1994
1SLA
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BU of 1sla by Molmil
X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES
Descriptor: BOVINE GALECTIN-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bourne, Y, Cambillau, C.
Deposit date:1994-03-12
Release date:1995-01-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crosslinking of mammalian lectin (galectin-1) by complex biantennary saccharides.
Nat.Struct.Biol., 1, 1994
1KND
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BU of 1knd by Molmil
Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with Catechol under Anaerobic Condition
Descriptor: 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, CATECHOL, FE (II) ION, ...
Authors:Han, S, Bolin, J.T.
Deposit date:2001-12-18
Release date:2002-03-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for the stabilization and inhibition of 2, 3-dihydroxybiphenyl 1,2-dioxygenase by t-butanol.
J.Biol.Chem., 273, 1998
1FLI
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BU of 1fli by Molmil
DNA-BINDING DOMAIN OF FLI-1
Descriptor: FLI-1
Authors:Liang, H, Mao, X, Olejniczak, E.T, Nettesheim, D.G, Yu, L, Meadows, R.P, Thompson, C.B, Fesik, S.W.
Deposit date:1994-09-15
Release date:1995-09-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the ets domain of Fli-1 when bound to DNA.
Nat.Struct.Biol., 1, 1994
2SRT
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BU of 2srt by Molmil
CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 AT PH 5.5 AND 40OC COMPLEXED WITH INHIBITOR
Descriptor: N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE, STROMELYSIN-1, ZINC ION
Authors:Gooley, P.R, O'Connell, J.F.
Deposit date:1995-03-22
Release date:1995-07-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR structure of the inhibited catalytic domain of human stromelysin-1.
Nat.Struct.Biol., 1, 1994
4V27
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BU of 4v27 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
Authors:Hakki, Z, Bellmaine, S, Thompson, A.J, Speciale, G, Davies, G.J, Williams, S.J.
Deposit date:2014-10-07
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp.
Chemistry, 21, 2015
7LPW
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BU of 7lpw by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14189
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ...
Authors:Losada, N, Ruiz, F.X, Arnold, E.
Deposit date:2021-02-12
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LX0
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BU of 7lx0 by Molmil
Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Gisriel, C.J, Wang, J.
Deposit date:2021-03-02
Release date:2021-07-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
BBA Adv, 1, 2021
2VG6
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BU of 2vg6 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
Descriptor: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
Deposit date:2007-11-08
Release date:2007-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
2VG5
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BU of 2vg5 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
Descriptor: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
Deposit date:2007-11-08
Release date:2007-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
5VQW
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BU of 5vqw by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Kudalkar, S.N, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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数据于2025-11-19公开中

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