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5NLX
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BU of 5nlx by Molmil
A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-04
Release date:2023-11-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:VMXm - A sub-micron focus macromolecular crystallography beamline at Diamond Light Source.
J.Synchrotron Radiat., 31, 2024
3FXU
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BU of 3fxu by Molmil
Crystal structure of TsaR in complex with its effector p-toluenesulfonate
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
2NQI
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BU of 2nqi by Molmil
Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor.
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
Authors:Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T.
Deposit date:2006-10-31
Release date:2007-01-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
6TIL
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BU of 6til by Molmil
Structure of A. niger Fdc WT in complex with FMN and 2 naphthoic acid
Descriptor: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
5NQU
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BU of 5nqu by Molmil
Tubulin Darpin cryo structure
Descriptor: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
Deposit date:2017-04-21
Release date:2017-09-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
6TM2
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BU of 6tm2 by Molmil
Human MUC2 AAs 21-1397
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D.
Deposit date:2019-12-03
Release date:2020-10-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
6NTS
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BU of 6nts by Molmil
Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP)
Descriptor: MANGANESE (II) ION, N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform, ...
Authors:Huang, W, Taylor, D.
Deposit date:2019-01-30
Release date:2020-05-06
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Selective PP2A Enhancement through Biased Heterotrimer Stabilization.
Cell, 181, 2020
2MPW
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BU of 2mpw by Molmil
Solution structure of the LysM region of the E. coli Intimin periplasmic domain
Descriptor: Intimin
Authors:Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B.
Deposit date:2014-06-05
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan.
Mol.Microbiol., 95, 2015
6YS5
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BU of 6ys5 by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 30S subunit head
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-21
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
5NM5
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BU of 5nm5 by Molmil
Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography
Descriptor: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
6NJJ
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BU of 6njj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
Descriptor: (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Fox III, D, Fairman, J.W, Gurney, M.E.
Deposit date:2019-01-03
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
1IGB
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BU of 1igb by Molmil
AEROMONAS PROTEOLYTICA AMINOPEPTIDASE COMPLEXED WITH THE INHIBITOR PARA-IODO-D-PHENYLALANINE HYDROXAMATE
Descriptor: AMINOPEPTIDASE, PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID, ZINC ION
Authors:Chevrier, B, D'Orchymont, H, Schalk, C, Tarnus, C, Moras, D.
Deposit date:1996-02-27
Release date:1996-08-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of the Aeromonas proteolytica aminopeptidase complexed with a hydroxamate inhibitor. Involvement in catalysis of Glu151 and two zinc ions of the co-catalytic unit.
Eur.J.Biochem., 237, 1996
6Y0P
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BU of 6y0p by Molmil
isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods
Descriptor: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
Authors:Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
Deposit date:2020-02-10
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
4YN0
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BU of 4yn0 by Molmil
Crystal structure of APP E2 domain in complex with DR6 CRD domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Amyloid beta A4 protein, MAGNESIUM ION, ...
Authors:Xu, K, Nikolov, D.
Deposit date:2015-03-08
Release date:2015-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of DR6 in complex with the amyloid precursor protein provides insight into death receptor activation.
Genes Dev., 29, 2015
6SVC
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BU of 6svc by Molmil
Protein allostery of the WW domain at atomic resolution: apo structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6DLM
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BU of 6dlm by Molmil
DHD127
Descriptor: DHD127_A, DHD127_B
Authors:Bick, M.J, Chen, Z, Baker, D.
Deposit date:2018-06-01
Release date:2018-12-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
1LNE
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BU of 1lne by Molmil
A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
Descriptor: CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
Deposit date:1994-05-13
Release date:1995-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
6FK6
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BU of 6fk6 by Molmil
Crystal structure of N2C/D282C stabilized opsin bound to RS01
Descriptor: (2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ...
Authors:Mattle, D, Standfuss, J, Dawson, R.
Deposit date:2018-01-23
Release date:2018-04-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4IXQ
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BU of 4ixq by Molmil
RT fs X-ray diffraction of Photosystem II, dark state
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:Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J.
Deposit date:2013-01-27
Release date:2013-02-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (5.7 Å)
Cite:Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
7MJR
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BU of 7mjr by Molmil
Vip4Da2 toxin structure
Descriptor: CALCIUM ION, SULFATE ION, Vip4Da1 protein
Authors:Rydel, T.J, Duda, D, Zheng, M, Henry, A.
Deposit date:2021-04-20
Release date:2021-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm.
Plos One, 16, 2021
7A1B
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BU of 7a1b by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-12
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.287 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
6FKD
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BU of 6fkd by Molmil
Crystal structure of N2C/D282C stabilized opsin bound to RS16
Descriptor: 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one, PALMITIC ACID, Rhodopsin, ...
Authors:Mattle, D, Standfuss, J, Dawson, R.
Deposit date:2018-01-23
Release date:2018-04-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FK8
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BU of 6fk8 by Molmil
Crystal structure of N2C/D282C stabilized opsin bound to RS08
Descriptor: (2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ...
Authors:Mattle, D, Standfuss, J, Dawson, R.
Deposit date:2018-01-23
Release date:2018-04-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7MHF
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BU of 7mhf by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022

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