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2FN4
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BU of 2fn4 by Molmil
The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras
Authors:Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-01-10
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
2GF9
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BU of 2gf9 by Molmil
Crystal structure of human RAB3D in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-3D, ...
Authors:Hong, B, Wang, J, Shen, L, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-03-21
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of human RAB3D in complex with GDP
To be Published
1ADD
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BU of 1add by Molmil
A PRE-TRANSITION STATE MIMIC OF AN ENZYME: X-RAY STRUCTURE OF ADENOSINE DEAMINASE WITH BOUND 1-DEAZA-ADENOSINE AND ZINC-ACTIVATED WATER
Descriptor: 1-DEAZA-ADENOSINE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1992-12-22
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A pre-transition-state mimic of an enzyme: X-ray structure of adenosine deaminase with bound 1-deazaadenosine and zinc-activated water.
Biochemistry, 32, 1993
8PTL
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BU of 8ptl by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 278K
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
Deposit date:2023-07-14
Release date:2024-03-13
Method:SOLUTION NMR
Cite:Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
4WFE
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BU of 4wfe by Molmil
Human TRAAK K+ channel in a K+ bound conductive conformation
Descriptor: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
Authors:Brohawn, S.G, MacKinnon, R.
Deposit date:2014-09-15
Release date:2014-12-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
7CE0
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BU of 7ce0 by Molmil
Crystal structure of 2019-nCoV nucleocapsid C-terminal domain (CTD) protein
Descriptor: Nucleoprotein
Authors:Peng, Y, Qi, J, Song, H, Gao, G.F.
Deposit date:2020-06-21
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of the SARS-CoV-2 nucleocapsid and their perspectives for drug design.
Embo J., 39, 2020
2QIN
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BU of 2qin by Molmil
Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant
Descriptor: MAGNESIUM ION, Metallo-beta-lactamase L1, ZINC ION
Authors:Spencer, J.
Deposit date:2007-07-05
Release date:2007-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases.
Biochemistry, 46, 2007
2FYV
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BU of 2fyv by Molmil
Golgi alpha-mannosidase II complex with an amino-salacinol carboxylate analog
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID, ...
Authors:Kuntz, D.A, Hamlet, T, Rose, D.R.
Deposit date:2006-02-08
Release date:2006-12-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis, enzymatic activity, and X-ray crystallography of an unusual class of amino acids.
Bioorg.Med.Chem., 14, 2006
199L
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BU of 199l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
Deposit date:1995-11-06
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
1A2F
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BU of 1a2f by Molmil
PROBING THE STRENGTH AND CHARACTER OF AN ASP-HIS-X HYDROGEN BOND BY INTRODUCING BURIED CHARGES
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cao, Y, Goodin, D.B, Mcree, D.E.
Deposit date:1998-01-02
Release date:1998-11-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the Strength and Character of an Asp-His-X Hydrogen Bond by Introducing Buried Charges
To be Published
1AC1
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BU of 1ac1 by Molmil
DSBA MUTANT H32L
Descriptor: DSBA
Authors:Guddat, L.W, Martin, J.L.
Deposit date:1997-02-10
Release date:1997-10-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
4WHL
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BU of 4whl by Molmil
A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1
Descriptor: C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, Serine/threonine-protein kinase PLK1
Authors:Bang, J.K, Han, Y.H, Ahn, M.J, Lee, K.S.
Deposit date:2014-09-23
Release date:2014-12-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
1ADL
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BU of 1adl by Molmil
ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH ARACHIDONIC ACID: X-RAY CRYSTALLOGRAPHIC AND TITRATION CALORIMETRY STUDIES
Descriptor: ADIPOCYTE LIPID-BINDING PROTEIN, ARACHIDONIC ACID, PROPANOIC ACID
Authors:Lalonde, J.M, Levenson, M, Roe, J.J, Bernlohr, D.A, Banaszak, L.J.
Deposit date:1994-03-25
Release date:1994-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Adipocyte lipid-binding protein complexed with arachidonic acid. Titration calorimetry and X-ray crystallographic studies.
J.Biol.Chem., 269, 1994
2QST
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BU of 2qst by Molmil
Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA)
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 5
Authors:Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
Deposit date:2007-07-31
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
1AE8
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BU of 1ae8 by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP
Descriptor: 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
Authors:De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
Deposit date:1997-03-06
Release date:1997-12-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
2QVD
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BU of 2qvd by Molmil
Identification of a potent anti-inflammatory agent from the natural extract of plant Cardiospermun helicacabum: Crystal structure of the complex of phospholipase A2 with Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy at 1.93 A resolution
Descriptor: BERBERINE, Phospholipase A2 VRV-PL-VIIIa
Authors:Kumar, S, Chandra, D.N, Singh, N, Jithesh, O, Sharma, S, Haridas, M, Singh, T.P.
Deposit date:2007-08-08
Release date:2007-08-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Identification of a novel and potent inhibitor of phospholipase A(2) in a medicinal plant: crystal structure at 1.93A and Surface Plasmon Resonance analysis of phospholipase A(2) complexed with berberine
Biochim.Biophys.Acta, 1814, 2011
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
1AJ0
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BU of 1aj0 by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, DIHYDROPTEROATE SYNTHASE, SULFANILAMIDE, ...
Authors:Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K.
Deposit date:1997-05-14
Release date:1998-05-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Nat.Struct.Biol., 4, 1997
3LJR
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BU of 3ljr by Molmil
GLUTATHIONE TRANSFERASE (THETA CLASS) FROM HUMAN IN COMPLEX WITH THE GLUTATHIONE CONJUGATE OF 1-MENAPHTHYL SULFATE
Descriptor: 1-MENAPHTHYL GLUTATHIONE CONJUGATE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
Authors:Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W.
Deposit date:1998-03-08
Release date:1999-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
1A88
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BU of 1a88 by Molmil
CHLOROPEROXIDASE L
Descriptor: CHLOROPEROXIDASE L
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J.
Deposit date:1998-04-03
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
2QVA
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BU of 2qva by Molmil
Crystal structure of Drosophila melanogaster Translin protein
Descriptor: GM27569p
Authors:Gupta, G.D, Makde, R.D, Kumar, V.
Deposit date:2007-08-08
Release date:2008-08-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structures of Drosophila mutant translin and characterization of translin variants reveal the structural plasticity of translin proteins.
Febs J., 275, 2008
1AAC
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BU of 1aac by Molmil
AMICYANIN OXIDIZED, 1.31 ANGSTROMS
Descriptor: AMICYANIN, COPPER (II) ION
Authors:Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S.
Deposit date:1995-09-07
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:X-ray structure of the cupredoxin amicyanin, from Paracoccus denitrificans, refined at 1.31 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
189L
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BU of 189l by Molmil
ENHANCEMENT OF PROTEIN STABILITY BY THE COMBINATION OF POINT MUTATIONS IN T4 LYSOZYME IS ADDITIVE
Descriptor: T4 LYSOZYME
Authors:Zhang, X.-J, Matthews, B.W.
Deposit date:1995-05-09
Release date:1995-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhancement of protein stability by the combination of point mutations in T4 lysozyme is additive.
Protein Eng., 8, 1995
4WH4
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BU of 4wh4 by Molmil
Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H
Descriptor: GLYCEROL, Immunoglobulin G-binding protein G, SULFATE ION
Authors:Cunningham, T.C, Horne, W.S, Saxena, S.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The double-histidine Cu2+-binding motif: a highly rigid, site-specific spin probe for electron spin resonance distance measurements.
Angew.Chem.Int.Ed.Engl., 54, 2015
4XPD
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BU of 4xpd by Molmil
Crystal structure of yeast N-terminal acetyltransferase NatE (ppGpp) in complex with a bisubstrate
Descriptor: ACETYL COENZYME *A, CARBOXYMETHYL COENZYME *A, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
Authors:Dong, J, Wang, S, York, J.D.
Deposit date:2015-01-16
Release date:2016-07-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of yeast N-terminal acetyltransferase NatE (ppGpp) in complex with a bisubstrate
To Be Published

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