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7SX4
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BU of 7sx4 by Molmil
Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J.
Deposit date:2021-11-22
Release date:2021-12-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
1KNV
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BU of 1knv by Molmil
Bse634I restriction endonuclease
Descriptor: ACETATE ION, Bse634I restriction endonuclease, CHLORIDE ION
Authors:Grazulis, S, Deibert, M, Rimseliene, R, Skirgaila, R, Sasnauskas, G, Lagunavicius, A, Repin, V, Urbanke, C, Huber, R, Siksnys, V.
Deposit date:2001-12-19
Release date:2002-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structure of the Bse634I restriction endonuclease: comparison of two enzymes recognizing the same DNA sequence.
Nucleic Acids Res., 30, 2002
1KPV
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BU of 1kpv by Molmil
High resolution crystal structure of the MHC class I complex H-2Kb/SEV9
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class I histocompatibility antigen, ...
Authors:Rudolph, M.G, Wilson, I.A.
Deposit date:2002-01-02
Release date:2003-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:High Resolution Crystal Structure of H-2Kb/VSV8
To be Published
5PTI
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BU of 5pti by Molmil
STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II
Descriptor: PHOSPHATE ION, TRYPSIN INHIBITOR, UNKNOWN ATOM OR ION
Authors:Wlodawer, A, Huber, R.
Deposit date:1984-10-05
Release date:1984-10-29
Last modified:2024-10-30
Method:NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION
Cite:Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II
J.Mol.Biol., 180, 1984
1KT4
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BU of 1kt4 by Molmil
Crystal structure of bovine holo-RBP at pH 3.0
Descriptor: RETINOL, plasma retinol-binding protein
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1WCI
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BU of 1wci by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-16
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
5AQI
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BU of 5aqi by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors:Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQK
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BU of 5aqk by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors:Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQQ
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BU of 5aqq by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors:Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
Descriptor: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
Authors:Sack, J.S, Critton, D.A.
Deposit date:2021-11-11
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
5AP2
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BU of 5ap2 by Molmil
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Descriptor: DUAL SPECIFICITY PROTEIN KINASE TTK, ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE
Authors:Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
1KG8
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BU of 1kg8 by Molmil
X-ray structure of an early-M intermediate of bacteriorhodopsin
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, RETINAL, bacteriorhodopsin
Authors:Facciotti, M.T, Rouhani, S, Burkard, F.T, Betancourt, F.M, Downing, K.H, Rose, R.B, McDermott, G, Glaeser, R.M.
Deposit date:2001-11-26
Release date:2001-12-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of an early intermediate in the M-state phase of the bacteriorhodopsin photocycle.
Biophys.J., 81, 2001
1KGM
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BU of 1kgm by Molmil
SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI
Descriptor: SERINE PROTEASE INHIBITOR I
Authors:Gaspari, Z, Patthy, A, Graf, L, Perczel, A.
Deposit date:2001-11-28
Release date:2001-12-12
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
7TA5
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BU of 7ta5 by Molmil
Crystal structure of cyanophycin synthetase 2 from Gloeothece citriformis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, D(-)-TARTARIC ACID, ...
Authors:Sharon, I, Schmeing, T.M.
Deposit date:2021-12-20
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Function of the beta-Asp-Arg Polymerase Cyanophycin Synthetase 2.
Acs Chem.Biol., 17, 2022
5BY7
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BU of 5by7 by Molmil
AbyA1 - tetronic acid condensing enzyme
Descriptor: 3-oxoacyl-ACP synthase III
Authors:Byrne, M.J, Race, P.R.
Deposit date:2015-06-10
Release date:2016-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of AbyA1, a tetronic acid condensing enzyme from the Abyssomicin polyketide synthase.
To Be Published
5BXQ
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BU of 5bxq by Molmil
Structure of the NTF2:RanGDP complex
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Stewart, M.
Deposit date:2015-06-09
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for molecular recognition between nuclear transport factor 2 (NTF2) and the GDP-bound form of the Ras-family GTPase Ran.
J.Mol.Biol., 277, 1998
7SKA
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BU of 7ska by Molmil
Sub-tomogram averaged structure of HIV-1 Envelope protein in native membrane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(2-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mangala Prasad, V, Lee, K.K.
Deposit date:2021-10-20
Release date:2022-03-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Cryo-ET of Env on intact HIV virions reveals structural variation and positioning on the Gag lattice.
Cell, 185, 2022
5BY1
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BU of 5by1 by Molmil
H18 Bat Influenza NS1 RNA Binding Domain
Descriptor: DI(HYDROXYETHYL)ETHER, Non-structural protein 1, PENTAETHYLENE GLYCOL
Authors:Kerry, P.S, Hale, B.G.
Deposit date:2015-06-09
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Novel Bat Influenza Virus NS1 Proteins Bind Double-Stranded RNA and Antagonize Host Innate Immunity.
J.Virol., 89, 2015
5C5T
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BU of 5c5t by Molmil
The crystal structure of viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1 - 2OG complex
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Prolyl 4-hydroxylase, ...
Authors:Levy, C.W.
Deposit date:2015-06-22
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase.
Biochemistry, 54, 2015
5C6I
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BU of 5c6i by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
Deposit date:2015-06-23
Release date:2015-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
5BW2
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BU of 5bw2 by Molmil
X-ray crystal structure of Aplysia californica acetylcholine binding protein (Ac-AChBP) Y55W in complex with 2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane; 2-(3-pyridyl)quinuclidine; 2-PQ (TI-4699)
Descriptor: (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane, Soluble acetylcholine receptor
Authors:Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T.
Deposit date:2015-06-05
Release date:2015-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs
To Be Published
5CCI
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BU of 5cci by Molmil
Structure of the Mg2+-bound synaptotagmin-1 SNARE complex (short unit cell form)
Descriptor: MAGNESIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
Authors:Zhou, Q, Zhao, M, Lyubimov, A.Y, Uervirojnangkoorn, M, Weis, W.I, Brunger, A.T.
Deposit date:2015-07-02
Release date:2015-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis.
Nature, 525, 2015
5C6B
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BU of 5c6b by Molmil
Crystal Structure of Prefusion-stabilized RSV F variant SC-TM
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Fusion glycoprotein F0,Fibritin, ...
Authors:McLellan, J.S, Langedijk, J.P.M.
Deposit date:2015-06-22
Release date:2015-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A highly stable prefusion RSV F vaccine derived from structural analysis of the fusion mechanism.
Nat Commun, 6, 2015
2A06
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BU of 2a06 by Molmil
Bovine cytochrome bc1 complex with stigmatellin bound
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
Authors:Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A.
Deposit date:2005-06-16
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
J.Mol.Biol., 351, 2005
5C5U
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BU of 5c5u by Molmil
The crystal structure of viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1 - Truncated Construct
Descriptor: ACETATE ION, MANGANESE (II) ION, Prolyl 4-hydroxylase, ...
Authors:Longbotham, J.E, Levy, C.W, Johannisen, L.O, Tarhonskaya, H, Jiang, S, Loenarz, C, Flashman, E, Hay, S, Schofiled, C.J, Scrutton, N.S.
Deposit date:2015-06-22
Release date:2015-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase.
Biochemistry, 54, 2015

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