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4V48
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BU of 4v48 by Molmil
Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the initiation-like state of E. coli 70S ribosome
Descriptor: 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J.
Deposit date:2003-05-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
9IK1
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BU of 9ik1 by Molmil
Cryo-EM structure of the human P2X3 receptor-compound 26a complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kim, S, Kim, G.R, Kim, Y.O, Han, X, Nagel, J, Kim, J, Song, D.I, Muller, C.E, Yoon, M.H, Jin, M.S, Kim, Y.C.
Deposit date:2024-06-26
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy.
J.Med.Chem., 67, 2024
2LPN
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BU of 2lpn by Molmil
Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF)
Descriptor: Cerebral dopamine neurotrophic factor
Authors:Latge, C, Cabral, K.M.S, Foguel, D, Pires, J.R.M, Almeida, M.S.
Deposit date:2012-02-15
Release date:2013-02-20
Last modified:2013-05-22
Method:SOLUTION NMR
Cite:(1)H-, (13)C- and (15)N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF).
Biomol.Nmr Assign., 7, 2013
7NS9
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BU of 7ns9 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and calcium
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-03-05
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
7NSD
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BU of 7nsd by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with ATP and calcium
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-03-05
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
7NS8
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BU of 7ns8 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, Triphosphate tunnel metalloenzyme Saci_0718
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-03-05
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
7NSF
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BU of 7nsf by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and magnesium
Descriptor: MAGNESIUM ION, TRIPHOSPHATE, Triphosphate tunnel metalloenzyme Saci_0718
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-03-05
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
7NSA
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BU of 7nsa by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate and calcium
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-03-05
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
7OA2
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BU of 7oa2 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate
Descriptor: POTASSIUM ION, PYROPHOSPHATE 2-, Triphosphate tunnel metalloenzyme Saci_0718
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-04-19
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
1Q6Z
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BU of 1q6z by Molmil
HIGH RESOLUTION STRUCTURE OF E28A MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH THIAMIN THIAZOLONE DIPHOSPHATE
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Bera, A.K, Hasson, M.S.
Deposit date:2003-08-14
Release date:2004-11-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1 Å)
Cite:High Resolution Structure of E28A Mutant Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamin Thiazolone Diphosphate
To be Published
3KIC
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BU of 3kic by Molmil
Crystal structure of adeno-associated virus serotype 3B
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein VP1
Authors:Lerch, T.F, Xie, Q, Chapman, M.S.
Deposit date:2009-11-01
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:The structure of adeno-associated virus serotype 3B (AAV-3B): insights into receptor binding and immune evasion.
Virology, 403, 2010
3KIE
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BU of 3kie by Molmil
Crystal structure of adeno-associated virus serotype 3B
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein VP1
Authors:Lerch, T.F, Xie, Q, Chapman, M.S.
Deposit date:2009-11-01
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of adeno-associated virus serotype 3B (AAV-3B): insights into receptor binding and immune evasion.
Virology, 403, 2010
1H47
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BU of 1h47 by Molmil
Structures of MECP synthase in complex with (i) CMP and (ii) CMP and product
Descriptor: 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ...
Authors:Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N.
Deposit date:2003-02-24
Release date:2004-10-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
4CVW
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BU of 4cvw by Molmil
Structure of the barley limit dextrinase-limit dextrinase inhibitor complex
Descriptor: CALCIUM ION, LIMIT DEXTRINASE, LIMIT DEXTRINASE INHIBITOR
Authors:Moeller, M.S, Vester-Christensen, M.B, Jensen, J.M, Abou Hachem, M, Henriksen, A, Svensson, B.
Deposit date:2014-03-31
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal Structure of Barley Limit Dextrinase:Limit Dextrinase Inhibitor (Ld:Ldi) Complex Reveals Insights Into Mechanism and Diversity of Cereal-Type Inhibitors.
J.Biol.Chem., 290, 2015
3S05
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BU of 3s05 by Molmil
mEos2 Fluorescent Protein-Green Form
Descriptor: Green to red photoconvertible GPF-like protein EosFP
Authors:Zhang, M.S, Wu, L.J, Xu, P.Y, Liu, Y.F, Xu, T.
Deposit date:2011-05-13
Release date:2011-11-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:mEos2 Fluorescent Protein-Green Form
To be Published
3S2I
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BU of 3s2i by Molmil
Crystal Structure of FurX NADH+:Furfuryl alcohol II
Descriptor: FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L.
Deposit date:2011-05-16
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
2KI5
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BU of 2ki5 by Molmil
HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION
Descriptor: 9-HYROXYETHOXYMETHYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION
Authors:Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R.
Deposit date:1999-02-12
Release date:1999-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
8BXX
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BU of 8bxx by Molmil
Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in complex with NAD and azide.
Descriptor: 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ...
Authors:Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
Deposit date:2022-12-10
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:From the amelioration of a NADP+-dependent formate dehydrogenase to the discovery of a new enzyme: round trip from theory to practice
ChemCatChem, 2020
6PPW
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BU of 6ppw by Molmil
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate
Descriptor: D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase
Authors:Rosanally, A.Z, Junop, M.S, Berti, P.J.
Deposit date:2019-07-08
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PPX
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BU of 6ppx by Molmil
Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis in complex with malate
Descriptor: D-MALATE, N-acetylneuraminate synthase
Authors:Rosanally, A.Z, Junop, M.S, Berti, P.J.
Deposit date:2019-07-08
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
1QCH
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BU of 1qch by Molmil
STRUCTURE, DYNAMICS AND HYDRATION OF THE NOGALAMYCIN-D(ATGCAT)2 COMPLEX DETERMINED BY NMR AND MOLECULAR DYNAMICS SIMULATIONS IN SOLUTION
Descriptor: 5'-D(*AP*TP*GP*CP*AP*T)-3', NOGALAMYCIN, SODIUM ION
Authors:Williams, H.E.L, Searle, M.S.
Deposit date:1999-05-05
Release date:1999-08-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure, dynamics and hydration of the nogalamycin-d(ATGCAT)2Complex determined by NMR and molecular dynamics simulations in solution.
J.Mol.Biol., 290, 1999
1QSX
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BU of 1qsx by Molmil
SOLUTION NMR STRUCTURE OF THE 2:1 HOECHST 33258-D(CTTTTGCAAAAG)2 COMPLEX
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(CP*TP*TP*TP*TP*GP*CP*AP*AP*AP*AP*G)-3', SODIUM ION
Authors:Gavathiotis, E, Sharman, G.J, Searle, M.S.
Deposit date:1999-06-24
Release date:2000-02-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence-dependent variation in DNA minor groove width dictates orientational preference of Hoechst 33258 in A-tract recognition: solution NMR structure of the 2:1 complex with d(CTTTTGCAAAAG)(2).
Nucleic Acids Res., 28, 2000
1QNY
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BU of 1qny by Molmil
X-ray refinement of D2O soaked crystal of concanavalin A
Descriptor: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION
Authors:Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb(Gilboa), A.J, Helliwell, J.R.
Deposit date:1999-10-26
Release date:2000-04-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography
Acta Crystallogr.,Sect.D, 56, 2000
2A89
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BU of 2a89 by Molmil
Monomeric Sarcosine Oxidase: Structure of a covalently flavinylated amine oxidizing enzyme
Descriptor: (N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE, CHLORIDE ION, Monomeric sarcosine oxidase, ...
Authors:Chen, Z.-W, Zhao, G, Martinovic, S, Jorns, M.S, Mathews, F.S.
Deposit date:2005-07-07
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the sodium borohydride-reduced N-(cyclopropyl)glycine adduct of the flavoenzyme monomeric sarcosine oxidase.
Biochemistry, 44, 2005
3M10
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BU of 3m10 by Molmil
Substrate-free form of Arginine Kinase
Descriptor: Arginine kinase, SULFATE ION
Authors:Yousef, M.S, Clark, S.A, Pruett, P.K, Somasundaram, T, Ellington, W.R, Chapman, M.S.
Deposit date:2010-03-03
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility.
J.Mol.Biol., 405, 2011

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