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8IRV
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BU of 8irv by Molmil
Dopamine Receptor D5R-Gs-Rotigotine complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E.
Deposit date:2023-03-19
Release date:2023-06-07
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural genomics of the human dopamine receptor system.
Cell Res., 33, 2023
1ECJ
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BU of 1ecj by Molmil
ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH 2 AMP PER TETRAMER
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE
Authors:Muchmore, C.R, Krahn, J.M, Smith, J.L.
Deposit date:1997-07-16
Release date:1998-04-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glutamine phosphoribosylpyrophosphate amidotransferase from Escherichia coli.
Protein Sci., 7, 1998
3IRH
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BU of 3irh by Molmil
Structure of an Enterococcus Faecalis HD-domain protein complexed with dGTP and dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Vorontsov, I.I, Minasov, G, Shuvalova, L, Brunzelle, J.S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-08-24
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of the deoxynucleotide triphosphate triphosphohydrolase (dNTPase) activity of the EF1143 protein from Enterococcus faecalis and crystal structure of the activator-substrate complex.
J.Biol.Chem., 286, 2011
1EN2
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BU of 1en2 by Molmil
UDA TETRASACCHARIDE COMPLEX. CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ, A SUPERANTIGEN PRESENTED BY MHC MOLECULES OF CLASS I AND CLASS II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AGGLUTININ ISOLECTIN I/AGGLUTININ ISOLECTIN V/ AGGLUTININ ISOLECTIN VI
Authors:Saul, F.A, Rovira, P, Boulot, G, Van Damme, E.J.M, Peumans, W.J, Truffa-Bachi, P, Bentley, G.A.
Deposit date:2000-03-20
Release date:2000-06-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Urtica dioica agglutinin, a superantigen presented by MHC molecules of class I and class II.
Structure Fold.Des., 8, 2000
5A94
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BU of 5a94 by Molmil
Crystal structure of beta-Glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 1
Descriptor: CHLORIDE ION, MAGNESIUM ION, PUTATIVE RETAINING B-GLYCOSIDASE, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-17
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
3CTM
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BU of 3ctm by Molmil
Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity
Descriptor: Carbonyl Reductase
Authors:Zhang, R, Zhu, G, Li, X, Xu, Y, Zhang, X.C, Rao, Z.
Deposit date:2008-04-14
Release date:2008-05-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.
Protein Sci., 17, 2008
3D8A
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BU of 3d8a by Molmil
Co-crystal structure of TraM-TraD complex.
Descriptor: Protein traD, Relaxosome protein TraM
Authors:Glover, J.N.M, Lu, J, Wong, J.J, Edwards, R.A.
Deposit date:2008-05-22
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of specific TraD-TraM recognition during F plasmid-mediated bacterial conjugation.
Mol.Microbiol., 70, 2008
6E2G
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BU of 6e2g by Molmil
Cryo-EM structure of rat TRPV6 in complex with Calmodulin
Descriptor: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 6
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-07-11
Release date:2018-08-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanism of calmodulin inactivation of the calcium-selective TRP channel TRPV6.
Sci Adv, 4, 2018
5A95
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BU of 5a95 by Molmil
Crystal structure of beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-17
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
5AL2
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BU of 5al2 by Molmil
Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one
Descriptor: (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-06
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
3DA8
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BU of 3da8 by Molmil
Crystal structure of PurN from Mycobacterium tuberculosis
Descriptor: BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ...
Authors:Zhang, Z, Squire, C.J, Baker, E.N.
Deposit date:2008-05-28
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
1RM4
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BU of 1rm4 by Molmil
Crystal structure of recombinant photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP
Descriptor: Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P.
Deposit date:2003-11-27
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin
J.Mol.Biol., 340, 2004
5AL5
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BU of 5al5 by Molmil
Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
Descriptor: 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-06
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
6F6R
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BU of 6f6r by Molmil
Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
Descriptor: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
Authors:Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
Deposit date:2017-12-06
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
5AL1
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BU of 5al1 by Molmil
Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one
Descriptor: 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-06
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
1RM3
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BU of 1rm3 by Molmil
Crystal structure of mutant T33A of photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP
Descriptor: Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P.
Deposit date:2003-11-27
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin
J.Mol.Biol., 340, 2004
6CD1
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BU of 6cd1 by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3), complexes with reaction intermediates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCINE, ...
Authors:Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
Deposit date:2018-02-07
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
8T5X
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BU of 8t5x by Molmil
Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T)
Descriptor: Transthyretin
Authors:Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2023-06-14
Release date:2023-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant.
J.Am.Chem.Soc., 146, 2024
6CCZ
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BU of 6ccz by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3) soaked with selenourea
Descriptor: ACETATE ION, FORMIC ACID, Serine hydroxymethyltransferase, ...
Authors:Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
Deposit date:2018-02-07
Release date:2018-05-23
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
6CD0
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BU of 6cd0 by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3), PLP-internal aldimine and apo form
Descriptor: ACETATE ION, FORMIC ACID, Serine hydroxymethyltransferase
Authors:Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
Deposit date:2018-02-07
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
2KIX
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BU of 2kix by Molmil
Channel domain of BM2 protein from influenza B virus
Descriptor: BM2 protein
Authors:Wang, J, Pielak, R, McClintock, M, Chou, J.
Deposit date:2009-05-12
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and functional analysis of the influenza B proton channel.
Nat.Struct.Mol.Biol., 16, 2009
2P4T
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BU of 2p4t by Molmil
Structure of the Q67H mutant of R67 dihydrofolate reductase-NADP+ complex reveals a novel cofactor binding mode
Descriptor: Dihydrofolate reductase type 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Divya, N, Grifith, E, Narayana, N.
Deposit date:2007-03-13
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure of the Q67H mutant of R67 dihydrofolate reductase-NADP+ complex reveals a novel cofactor binding mode.
Protein Sci., 16, 2007
5DCE
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BU of 5dce by Molmil
Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated (Tryptophan)
Descriptor: MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, TRYPTOPHAN
Authors:Heyes, L.C, Parker, E.J.
Deposit date:2015-08-24
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Functional Unit of Neisseria meningitidis 3-Deoxy--Arabino-Heptulosonate 7-Phosphate Synthase Is Dimeric.
Plos One, 11, 2016
1RM5
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BU of 1rm5 by Molmil
Crystal structure of mutant S188A of photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP
Descriptor: Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P.
Deposit date:2003-11-27
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin
J.Mol.Biol., 340, 2004
7PX8
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BU of 7px8 by Molmil
CryoEM structure of mammalian acylaminoacyl-peptidase
Descriptor: Acylamino-acid-releasing enzyme
Authors:Kiss-Szeman, A.J, Harmat, V, Menyhard, D.K, Straner, P, Jakli, I, Hosogi, N, Perczel, A.
Deposit date:2021-10-08
Release date:2022-05-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad.
Chem Sci, 13, 2022

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