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3FR5
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BU of 3fr5 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FUX
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BU of 3fux by Molmil
T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in complex with 5'-methylthioadenosine in space group P212121
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Dimethyladenosine transferase
Authors:Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G.
Deposit date:2009-01-14
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
3FTR
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BU of 3ftr by Molmil
Structure of an amyloid forming peptide SSTNVG from IAPP (alternate polymorph)
Descriptor: SSTNVG FROM ISLET AMYLOID POLYPEPTIDE
Authors:Landau, M, Eisenberg, D.
Deposit date:2009-01-13
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
4O9H
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BU of 4o9h by Molmil
Structure of Interleukin-6 in complex with a Camelid Fab fragment
Descriptor: Heavy Chain of the Camelid Fab fragment 61H7, Interleukin-6, Light Chain of the Camelid Fab fragment 61H7
Authors:Klarenbeek, A, Blanchetot, C, Schragel, G, Sadi, A.S, Ongenae, N, Hemrika, W, Wijdenes, J, Spinelli, S, Desmyter, A, Cambillau, C, Hultberg, A, Kretz-rommel, A, Dreier, T, De haard, H.J.W, Roovers, R.C.
Deposit date:2014-01-02
Release date:2015-04-15
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Combining residues of naturally-occurring Camelid somatic affinity variants yields ultra-potent human therapeutic IL-6 antibodies
To be Published
3FR1
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BU of 3fr1 by Molmil
NFLVHS segment from Islet Amyloid Polypeptide (IAPP or Amylin)
Descriptor: CHLORIDE ION, Islet amyloid polypeptide
Authors:Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular mechanisms for protein-encoded inheritance
Nat.Struct.Mol.Biol., 16, 2009
3FUT
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BU of 3fut by Molmil
Apo-form of T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in space group P21212
Descriptor: Dimethyladenosine transferase
Authors:Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G.
Deposit date:2009-01-14
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
6PWS
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BU of 6pws by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of alpha-methyl mannoside
Descriptor: CALCIUM ION, Fc fragment of IgE receptor II, methyl alpha-D-mannopyranoside
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
4PEY
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BU of 4pey by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritriose
Descriptor: Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
6HIG
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BU of 6hig by Molmil
hPD-1/NBO1a Fab complex
Descriptor: Heavy Chain, Light Chain, Programmed cell death protein 1
Authors:Loredo-Varela, J.L, Fenwick, C, Pantaleo, G, Weissenhorn, W.
Deposit date:2018-08-29
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tumor suppression of novel anti-PD-1 antibodies mediated through CD28 costimulatory pathway.
J.Exp.Med., 216, 2019
4PNJ
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BU of 4pnj by Molmil
Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M.
Deposit date:2014-05-23
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Goniometer-based femtosecond crystallography with X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PU8
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BU of 4pu8 by Molmil
Shewanella oneidensis Toxin Antitoxin System Antitoxin Protein HipB Resolution 2.35
Descriptor: Toxin-antitoxin system antidote transcriptional repressor Xre family
Authors:Wen, Y, Behiels, E, Felix, J, Elegheert, J, Vergauwen, B, Devreese, B, Savvides, S.
Deposit date:2014-03-12
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The bacterial antitoxin HipB establishes a ternary complex with operator DNA and phosphorylated toxin HipA to regulate bacterial persistence.
Nucleic Acids Res., 42, 2014
4PEZ
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BU of 4pez by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritetraose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose, ...
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
6OT6
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BU of 6ot6 by Molmil
Rat ERK2 D319N
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION
Authors:Taylor, C.A, Goldsmith, E.J, Cobb, M.H.
Deposit date:2019-05-02
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
4PGL
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BU of 4pgl by Molmil
Crystal structure of engineered D-tagatose 3-epimerase PcDTE-ILS6
Descriptor: D-tagatose 3-epimerase, L-sorbose, L-tagatose, ...
Authors:Hee, C.S, Bosshart, A, Schirmer, T.
Deposit date:2014-05-02
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Chembiochem, 16, 2015
3DBV
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BU of 3dbv by Molmil
GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NAD+
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A.
Deposit date:1997-01-06
Release date:1997-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+.
J.Mol.Biol., 268, 1997
3E7I
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BU of 3e7i by Molmil
Structure of murine inos oxygenase domain with inhibitor AR-C94864
Descriptor: (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7T
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BU of 3e7t by Molmil
Structure of murine iNOS oxygenase domain with inhibitor AR-C102222
Descriptor: 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E6L
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BU of 3e6l by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C132283
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-15
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
1A6V
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BU of 1a6v by Molmil
B1-8 FV fragment complexed with a (4-hydroxy-3-nitrophenyl) acetate compound
Descriptor: 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION, B1-8 FV (HEAVY CHAIN), B1-8 FV (LIGHT CHAIN)
Authors:Simon, T, Henrick, K, Hirshberg, M, Winter, G.
Deposit date:1998-03-03
Release date:1998-07-15
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-Ray Structures of Fv Fragment and its (4-Hydroxy-3-Nitrophenyl)Acetate Complex of Murine B1-8 Antibody
To be Published
1A58
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BU of 1a58 by Molmil
CYCLOPHILIN FROM BRUGIA MALAYI
Descriptor: CYCLOPHILIN
Authors:Taylor, P, Page, A.P, Kontopidis, G, Husi, H, Walkinshaw, M.D.
Deposit date:1998-02-20
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The X-ray structure of a divergent cyclophilin from the nematode parasite Brugia malayi.
FEBS Lett., 425, 1998
3FL1
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BU of 3fl1 by Molmil
X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
Descriptor: 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, Ribonuclease pancreatic, SULFATE ION, ...
Authors:Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
Deposit date:2008-12-18
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
3F9R
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BU of 3f9r by Molmil
Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370
Descriptor: MAGNESIUM ION, Phosphomannomutase, SULFATE ION
Authors:Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Guther, L, Shamshad, A, MacKenzie, F, Bandini, G, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-11-14
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370
To be Published
6PWT
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BU of 6pwt by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc2Man3 oligosaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
3FCV
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BU of 3fcv by Molmil
Crystal structure of the Mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with dUDP
Descriptor: DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C.
Deposit date:2008-11-23
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
3FP7
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BU of 3fp7 by Molmil
Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit
Descriptor: 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ...
Authors:Zakharova, E, Horvath, M.P, Goldenberg, D.P.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of a serine protease poised to resynthesize a peptide bond.
Proc.Natl.Acad.Sci.USA, 106, 2009

223790

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