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4F8T
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BU of 4f8t by Molmil
Crystal Structure of the Human BTN3A3 Ectodomain
Descriptor: Butyrophilin subfamily 3 member A3
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-17
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4F9L
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BU of 4f9l by Molmil
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-18
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1404 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
2FWV
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BU of 2fwv by Molmil
Crystal Structure of Rv0813
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852
Authors:Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE)
Deposit date:2006-02-03
Release date:2006-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria
J.Bacteriol., 189, 2007
2FSN
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BU of 2fsn by Molmil
Crystal structure of Ta0583, an archaeal actin homolog, complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, hypothetical protein Ta0583
Authors:Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
Deposit date:2006-01-23
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
5FHT
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BU of 5fht by Molmil
HtrA2 protease mutant V226K
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, POTASSIUM ION, ...
Authors:Golik, P, Dubin, G, Zurawa-Janicka, D, Lipinska, B, Jarzab, M, Wenta, T, Gieldon, A, Ciarkowski, A.
Deposit date:2015-12-22
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Distinct 3D Architecture and Dynamics of the Human HtrA2(Omi) Protease and Its Mutated Variants.
Plos One, 11, 2016
4XW6
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BU of 4xw6 by Molmil
X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4F1O
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BU of 4f1o by Molmil
Crystal Structure of the L1180T mutant Roco4 Kinase Domain from D. discoideum bound to AppCp
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Serine/threonine-protein kinase roco4
Authors:Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A.
Deposit date:2012-05-07
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F1T
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BU of 4f1t by Molmil
Crystal Structure of the Roco4 Kinase Domain from D. discoideum bound to the ROCK Inhibitor H1152
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, Serine/threonine-protein kinase roco4
Authors:Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A.
Deposit date:2012-05-07
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012
4XW5
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BU of 4xw5 by Molmil
X-ray structure of PKAc with ATP, CP20, calcium ions
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4XWO
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BU of 4xwo by Molmil
Structure of Get3 bound to the transmembrane domain of Sec22
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, ...
Authors:Mateja, A, Paduch, M, Chang, H.-Y, Szydlowska, A, Kossiakoff, A.A, Hegde, R.S, Keenan, R.J.
Deposit date:2015-01-29
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Protein targeting. Structure of the Get3 targeting factor in complex with its membrane protein cargo.
Science, 347, 2015
4FFO
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BU of 4ffo by Molmil
PylC in complex with phosphorylated D-ornithine
Descriptor: (2R)-2,5-diaminopentanoyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4XCX
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BU of 4xcx by Molmil
METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase
Authors:Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-12-18
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structure of human C1ORF59 in complex with SAH
To be published
4FFP
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BU of 4ffp by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4F80
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BU of 4f80 by Molmil
Crystal Structure of the human BTN3A1 ectodomain
Descriptor: Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-16
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-26
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
4FBY
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BU of 4fby by Molmil
fs X-ray diffraction of Photosystem II
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, Hellmich, J, Tran, R, Hattne, J, Laksmono, H, Gloeckner, C, Echols, N, Sierra, R.G, Sellberg, J, Lassalle-Kaiser, B, Gildea, R.J, Glatzel, P, Grosse-Kunstleve, R.W, Latimer, M.J, Mcqueen, T.A, Difiore, D, Fry, A.R, Messerschmidt, M.M, Miahnahri, A, Schafer, D.W, Seibert, M.M, Sokaras, D, Weng, T.-C, Zwart, P.H, White, W.E, Adams, P.D, Bogan, M.J, Boutet, S, Williams, G.J, Messinger, J, Sauter, N.K, Zouni, A, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2012-05-23
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (6.56 Å)
Cite:Room temperature femtosecond X-ray diffraction of photosystem II microcrystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EZ8
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BU of 4ez8 by Molmil
Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
4XVH
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BU of 4xvh by Molmil
Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Carbohydrate esterase family 2 (CE2), GLYCEROL
Authors:Stogios, P.J, Dong, A, Xu, X, Cui, H, Savchenko, A.
Deposit date:2015-01-27
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9449 Å)
Cite:Crystal structure of a Corynascus thermopiles carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
To Be Published
4Y23
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BU of 4y23 by Molmil
Crystal structure of T399A precursor mutant protein of gamma-glutamyl transpeptidase from Bacillus licheniformis
Descriptor: Gamma glutamyl transpeptidase,Gamma-glutamyltranspeptidase, SODIUM ION
Authors:Pica, A, Merlino, A.
Deposit date:2015-02-09
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The maturation mechanism of gamma-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies.
Biochim.Biophys.Acta, 1864, 2015
4F9P
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BU of 4f9p by Molmil
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody
Descriptor: 103.2 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-19
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.519 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4FFL
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BU of 4ffl by Molmil
PylC in complex with L-lysine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FR4
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BU of 4fr4 by Molmil
Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
Descriptor: 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A
Authors:Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-06-26
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4FPT
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BU of 4fpt by Molmil
Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-22
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
7SSE
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BU of 7sse by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70
Descriptor: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
Authors:Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-11-10
Release date:2021-12-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
4FPP
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BU of 4fpp by Molmil
Bacterial phosphotransferase
Descriptor: GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Fioravanti, A, Clantin, B, Dewitte, F, Lens, Z, Verger, A, Biondi, E, Villeret, V.
Deposit date:2012-06-22
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into ChpT, an essential dimeric histidine phosphotransferase regulating the cell cycle in Caulobacter crescentus.
Acta Crystallogr.,Sect.F, 68, 2012

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