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5G1T
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BU of 5g1t by Molmil
S. enterica HisA mutant dup13-15, D10G
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-03-30
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G2I
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BU of 5g2i by Molmil
S. enterica HisA mutant Dup13-15(VVR)
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-04-08
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7YZX
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BU of 7yzx by Molmil
ScpA from Streptococcus pyogenes, D783A mutant.
Descriptor: C5a peptidase, CALCIUM ION, MALONIC ACID, ...
Authors:Kagawa, T.F, Cooney, J.C, Jain, M.
Deposit date:2022-02-21
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity.
Data Brief, 46, 2023
1VC4
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BU of 1vc4 by Molmil
Crystal Structure of Indole-3-Glycerol Phosphate Synthase (TrpC) from Thermus Thermophilus At 1.8 A Resolution
Descriptor: ACETIC ACID, GLYCEROL, Indole-3-Glycerol Phosphate Synthase, ...
Authors:Bagautdinov, B, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-04
Release date:2004-03-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of indole-3-glycerol phosphate synthase from Thermus thermophilus HB8: implications for thermal stability.
Acta Crystallogr.,Sect.D, 67, 2011
2HLV
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BU of 2hlv by Molmil
Bovine Odorant Binding Protein deswapped triple mutant
Descriptor: 3,6-BIS(METHYLENE)DECANOIC ACID, GLYCEROL, Odorant-binding protein
Authors:Spinelli, S, Tegoni, M, Cambillau, C.
Deposit date:2006-07-10
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Deswapping bovine odorant binding protein.
Biochim.Biophys.Acta, 1784, 2008
4TM9
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BU of 4tm9 by Molmil
Crystal Structure of Human Transthyretin Thr119Trp Mutant
Descriptor: Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-31
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
8J4A
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BU of 8j4a by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtRPN10
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Dong, C, Yan, X, Yuan, X.
Deposit date:2023-04-19
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
4K4R
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BU of 4k4r by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
Descriptor: 1-bromonaphthalene-2-carboxylic acid, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2013-04-12
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
8JTL
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BU of 8jtl by Molmil
Structure of OY phytoplasma SAP05 binding with AtRpn10
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Du, Y.X, Zhang, L.Y, Zheng, Q.Y.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure basis for recognition of plant Rpn10 by phytoplasma SAP05 in ubiquitin-independent protein degradation.
Iscience, 27, 2024
8JTK
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Structure of AYWB phytoplasma SAP05 recognizing AtRpn10
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Du, Y.X, Zhang, L.Y, Zheng, Q.Y.
Deposit date:2023-06-22
Release date:2023-07-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure basis for recognition of plant Rpn10 by phytoplasma SAP05 in ubiquitin-independent protein degradation.
Iscience, 27, 2024
4K4Q
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BU of 4k4q by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site
Descriptor: 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2013-04-12
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4K4P
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BU of 4k4p by Molmil
TL-3 inhibited Trp6Ala HIV Protease
Descriptor: HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2013-04-12
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4BTH
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BU of 4bth by Molmil
The LeuA146Trp,PheB24Tyr Double Mutant of the Quorum Quenching N-acyl Homoserine Lactone Acylase PvdQ Has an Altered Substrate Specificity Towards Small Acyl Chains
Descriptor: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL
Authors:Koch, G, Nadal-Jimenez, P, Reis, C.R, Muntendam, R, Bokhove, M, Melillo, E, Dijkstra, B.W, Cool, R.H, Quax, W.J.
Deposit date:2013-06-18
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reducing Virulence of the Human Pathogen Burkholderia by Altering the Substrate Specificity of the Quorum-Quenching Acylase Pvdq
Proc.Natl.Acad.Sci.USA, 111, 2014
5KJA
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BU of 5kja by Molmil
Synechocystis apocarotenoid oxygenase (ACO) mutant - Trp149Ala
Descriptor: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
Authors:Sui, X, Kiser, P.D, Palczewski, K.
Deposit date:2016-06-18
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Key Residues for Catalytic Function and Metal Coordination in a Carotenoid Cleavage Dioxygenase.
J.Biol.Chem., 291, 2016
5A2L
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BU of 5a2l by Molmil
Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ...
Authors:Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A2I
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BU of 5a2i by Molmil
Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ...
Authors:Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
6C7H
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BU of 6c7h by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 18 Design Trp50Ala mutant
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
5A2K
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BU of 5a2k by Molmil
Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ...
Authors:Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
8EKG
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BU of 8ekg by Molmil
MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-09-20
Release date:2023-10-18
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Increasing the Soluble Expression and Whole-Cell Activity of the Plastic-Degrading Enzyme MHETase through Consensus Design.
Biochemistry, 63, 2024
5U0U
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BU of 5u0u by Molmil
Crystal Structure of DH270.1 (unliganded, single-chain Fv) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage
Descriptor: DH270.1 single-chain variable fragment
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-11-27
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.428 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
5UBS
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BU of 5ubs by Molmil
Solution NMR Structure of NERD-S, a natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) with a solvent-exposed Trp43
Descriptor: Immunoglobulin G-binding protein G
Authors:Damry, A.M, Davey, J.A, Goto, N.K, Chica, R.A.
Deposit date:2016-12-21
Release date:2017-08-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational design of proteins that exchange on functional timescales.
Nat. Chem. Biol., 13, 2017
5U0R
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BU of 5u0r by Molmil
Crystal Structure of DH270.UCA1 (unliganded) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage
Descriptor: DH270.UCA1 heavy chain, DH270.UCA1 light chain, SULFATE ION
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-11-26
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.295 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
5TPL
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BU of 5tpl by Molmil
Crystal Structure of DH270.3 (unliganded) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage
Descriptor: DH270.3 Fab heavy chain, DH270.3 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-10-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
5TPP
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BU of 5tpp by Molmil
Crystal Structure of DH270.5 (unliganded) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage
Descriptor: CITRIC ACID, DH270.5 Fab heavy chain, DH270.5 Fab light chain, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-10-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
8QIJ
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BU of 8qij by Molmil
Crystallographic Structure of a Salicylate Synthase from M. abscessus (Mab-SaS)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Cassetta, A, Covaceuszach, S, Tomaiuolo, M, Meneghetti, F, Villa, S, Mori, M, Chiarelli, L.R, Mangiatordi, G.F.
Deposit date:2023-09-12
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.073 Å)
Cite:Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus.
Eur.J.Med.Chem., 265, 2024

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