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7Z3Z
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BU of 7z3z by Molmil
Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STEARIC ACID, ...
Authors:Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2022-03-03
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer
bioRxiv, 2020
5MQW
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BU of 5mqw by Molmil
High-speed fixed-target serial virus crystallography
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A.
Deposit date:2016-12-21
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
2XBO
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BU of 2xbo by Molmil
Equine Rhinitis A Virus in Complex with its Sialic Acid Receptor
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, P1
Authors:Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Rowlands, D.J, Stuart, D.I.
Deposit date:2010-04-14
Release date:2010-09-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Crystal Structure of Equine Rhinitis a Virus in Complex with its Sialic Acid Receptor.
J.Gen.Virol., 91, 2010
3RUK
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BU of 3ruk by Molmil
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2011-05-05
Release date:2012-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
6I2K
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BU of 6i2k by Molmil
Structure of EV71 complexed with its receptor SCARB2
Descriptor: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I.
Deposit date:2018-11-01
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
1QZM
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BU of 1qzm by Molmil
alpha-domain of ATPase
Descriptor: ATP-dependent protease La
Authors:Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A.
Deposit date:2003-09-17
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution.
J.Struct.Biol., 146
6F6I
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BU of 6f6i by Molmil
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH PAROXETINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ...
Authors:Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I.
Deposit date:2017-12-05
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
6F6N
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BU of 6f6n by Molmil
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE
Descriptor: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I.
Deposit date:2017-12-05
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
2SNS
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BU of 2sns by Molmil
STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Legg, M.J, Cotton, F.A, Hazen Jr, E.E.
Deposit date:1982-05-14
Release date:1982-07-29
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:
Thesis, Texas Agricultural and Mechanical University, 1977
5WTG
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BU of 5wtg by Molmil
Crystal structure of the Fab fragment of anti-HAV antibody R10
Descriptor: FAB Heavy chain, FAB Light chain
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OYV
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BU of 6oyv by Molmil
Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol
Descriptor: Cytochrome P450 1B1, ESTRADIOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
2ACG
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BU of 2acg by Molmil
ACANTHAMOEBA CASTELLANII PROFILIN II
Descriptor: PROFILIN II
Authors:Fedorov, A.A, Magnus, K.A, Graupe, M.H, Lattman, E.E, Pollard, T.D, Almo, S.C.
Deposit date:1994-08-30
Release date:1994-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structures of isoforms of the actin-binding protein profilin that differ in their affinity for phosphatidylinositol phosphates.
Proc.Natl.Acad.Sci.USA, 91, 1994
5X3S
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BU of 5x3s by Molmil
Crystal structure of mouse Plk1-PBD in complex with phosphopeptide from HEF1 (799-809)
Descriptor: Peptide from Enhancer of filamentation 1, Serine/threonine-protein kinase PLK1
Authors:Kim, J.H, Shin, S.C, Kim, E.E.
Deposit date:2017-02-07
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Phosphorylation of human enhancer filamentation 1 (HEF1) stimulates interaction with Polo-like kinase 1 leading to HEF1 localization to focal adhesions.
J. Biol. Chem., 293, 2018
6OYU
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BU of 6oyu by Molmil
Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ...
Authors:Bart, A.G, Harris, K.L, Scott, E.E.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
1ZPR
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BU of 1zpr by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sage, C.R, Stout, T.J, Rutenber, E.E, Stroud, R.M.
Deposit date:1996-10-15
Release date:1997-07-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
4X9Q
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BU of 4x9q by Molmil
MnSOD-3 Room Temperature Structure
Descriptor: MALONATE ION, MANGANESE (II) ION, SULFATE ION, ...
Authors:Hunter, G.J, Trinh, C.H, Hunter, T, Bonetta, R, Stewart, E.E.
Deposit date:2014-12-11
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The structure of the Caenorhabditis elegans manganese superoxide dismutase MnSOD-3-azide complex.
Protein Sci., 24, 2015
3KDB
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BU of 3kdb by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006
Descriptor: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease
Authors:Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
3KDC
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BU of 3kdc by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074
Descriptor: (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
6F5U
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BU of 6f5u by Molmil
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH BEPRIDIL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bepridil, DIMETHYL SULFOXIDE, ...
Authors:Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I.
Deposit date:2017-12-03
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
3KDD
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BU of 3kdd by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265
Descriptor: (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease
Authors:Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
2Z84
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BU of 2z84 by Molmil
Insights from crystal and solution structures of mouse UfSP1
Descriptor: Ufm1-specific protease 1
Authors:Ha, B.H, Ahn, H.C, Kang, S.H, Tanaka, K, Chung, C.H, Kim, E.E.
Deposit date:2007-08-30
Release date:2008-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for Ufm1 processing by UfSP1
J. Biol. Chem., 283, 2008
3AID
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BU of 3aid by Molmil
A NEW CLASS OF HIV-1 PROTEASE INHIBITOR: THE CRYSTALLOGRAPHIC STRUCTURE, INHIBITION AND CHEMICAL SYNTHESIS OF AN AMINIMIDE PEPTIDE ISOSTERE
Descriptor: BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE
Authors:Rutenber, E.E, Stroud, R.M.
Deposit date:1997-05-15
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new class of HIV-1 protease inhibitor: the crystallographic structure, inhibition and chemical synthesis of an aminimide peptide isostere.
Bioorg.Med.Chem., 4, 1996
365D
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BU of 365d by Molmil
STRUCTURAL BASIS FOR G C RECOGNITION IN THE DNA MINOR GROOVE
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*(CBR)P*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE
Authors:Kielkopf, C.L, Baird, E.E, Dervan, P.B, Rees, D.C.
Deposit date:1997-12-17
Release date:1998-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for G.C recognition in the DNA minor groove.
Nat.Struct.Biol., 5, 1998
5FAN
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BU of 5fan by Molmil
Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2, p-coumaroyl-CoA
Authors:Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D.
Deposit date:2015-12-11
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin.
Plant Cell.Physiol., 57, 2016
8CII
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BU of 8cii by Molmil
Delta-RBD complex with BA.2-07 fab, SARS1-34 fab and C1 nanobody
Descriptor: BA.2-07 fab Heavy Chain, BA.2-07 fab Light Chain, C1 nanobody, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2023-02-09
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Potent cross-reactive mAbs from BA.4/5 breakthrough infection
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