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7WZZ
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BU of 7wzz by Molmil
Crystal structure of peptide KAGQVVTIW in complex with HLA-B5801
Descriptor: Beta-2-microglobulin, GLYCEROL, LYS-ALA-GLY-GLN-VAL-VAL-THR-ILE-TRP, ...
Authors:Huan, X, Ren, E.C.
Deposit date:2022-02-20
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
7X00
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BU of 7x00 by Molmil
Crystal structure of peptide VSFIEFVGW in complex with HLA-B5801
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Huan, X, Ren, E.C.
Deposit date:2022-02-20
Release date:2023-05-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
6CXV
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BU of 6cxv by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
Deposit date:2018-04-04
Release date:2018-06-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
6S08
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BU of 6s08 by Molmil
Crystal Structure of Properdin (TSR domains N1 & 456)
Descriptor: Properdin, SODIUM ION, TRIETHYLENE GLYCOL, ...
Authors:van den Bos, R.M, Pearce, N.M, Gros, P.
Deposit date:2019-06-14
Release date:2019-09-04
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Insights Into Enhanced Complement Activation by Structures of Properdin and Its Complex With the C-Terminal Domain of C3b.
Front Immunol, 10, 2019
4ZUD
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BU of 4zud by Molmil
Crystal Structure of Human Angiotensin Receptor in Complex with Inverse Agonist Olmesartan at 2.8A resolution.
Descriptor: Chimera protein of Soluble cytochrome b562 and Type-1 angiotensin II receptor, Olmesartan
Authors:Zhang, H, Unal, H, Desnoyer, R, Han, G.W, Patel, N, Katritch, V, Karnik, S.S, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2015-05-15
Release date:2015-10-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin Receptor.
J.Biol.Chem., 290, 2015
6T6M
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BU of 6t6m by Molmil
Y201W mutant of the orange carotenoid protein from Synechocystis at pH 5.5
Descriptor: GLYCEROL, HISTIDINE, Orange carotenoid-binding protein, ...
Authors:Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021
7YTQ
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BU of 7ytq by Molmil
Human langerin carbohydrate recognition domain in complex with an alpha-mannoside ligand
Descriptor: CALCIUM ION, CD207 molecule, CHLORIDE ION, ...
Authors:Wangkanont, K.
Deposit date:2022-08-16
Release date:2022-09-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Human langerin carbohydrate recognition domain in complex with an alpha-mannoside ligand
To Be Published
2ZP9
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BU of 2zp9 by Molmil
The Nature of the TRAP:Anti-TRAP complex
Descriptor: TRYPTOPHAN, Transcription attenuation protein mtrB, Tryptophan RNA-binding attenuator protein-inhibitory protein, ...
Authors:Watanabe, M, Heddle, J.G, Unzai, S, Akashi, S, Park, S.Y, Tame, J.R.H.
Deposit date:2008-07-08
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The nature of the TRAP-Anti-TRAP complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
3D2R
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BU of 3d2r by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Kato, M, Wynn, R.M, Chuang, L.C, Tso, S.-C, Li, J, Chuang, D.T.
Deposit date:2008-05-08
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Pyruvate Dehydrogenase Kinase-4 Structures Reveal a Metastable Open Conformation Fostering Robust Core-free Basal Activity.
J.Biol.Chem., 283, 2008
3E2T
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BU of 3e2t by Molmil
The catalytic domain of chicken tryptophan hydroxylase 1 with bound tryptophan
Descriptor: FE (III) ION, IMIDAZOLE, SULFATE ION, ...
Authors:Windahl, M.S, Petersen, C.R, Christensen, H.E.C, Harris, P.
Deposit date:2008-08-06
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tryptophan hydroxylase with bound amino acid substrate
Biochemistry, 47, 2008
5G4A
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BU of 5g4a by Molmil
AadA in complex with ATP and magnesium
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside (3'') (9) adenylyltransferase, ...
Authors:Stern, A.L, van der Verren, S, Selmer, M.
Deposit date:2016-05-07
Release date:2017-11-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
6MDS
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BU of 6mds by Molmil
Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with complex biantennary glycan
Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J.
Deposit date:2018-09-05
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2.
ACS Cent Sci, 5, 2019
6MDV
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BU of 6mdv by Molmil
Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with high-mannose glycan
Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J.
Deposit date:2018-09-05
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2.
ACS Cent Sci, 5, 2019
1DKI
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BU of 1dki by Molmil
CRYSTAL STRUCTURE OF THE ZYMOGEN FORM OF STREPTOCOCCAL PYROGENIC EXOTOXIN B ACTIVE SITE (C47S) MUTANT
Descriptor: PYROGENIC EXOTOXIN B ZYMOGEN, SULFATE ION
Authors:Kagawa, T.F, Cooney, J.C, Baker, H.M, McSweeney, S, Liu, M, Gubba, S, Musser, J.M, Baker, E.N.
Deposit date:1999-12-07
Release date:2000-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the zymogen form of the group A Streptococcus virulence factor SpeB: an integrin-binding cysteine protease.
Proc.Natl.Acad.Sci.USA, 97, 2000
8A49
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BU of 8a49 by Molmil
Endoglycosidase S in complex with IgG1 Fc
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)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 Fc, Secreted endoglycosidase EndoS
Authors:Sudol, A.S.L, Tews, I, Crispin, M.
Deposit date:2022-06-10
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Extensive substrate recognition by the streptococcal antibody-degrading enzymes IdeS and EndoS.
Nat Commun, 13, 2022
6P43
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BU of 6p43 by Molmil
Yeast cytochrome c peroxidase in complex with iso-1 cytochrome c (Y48K)
Descriptor: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
Authors:Yee, E.F, Crane, B.R.
Deposit date:2019-05-25
Release date:2019-10-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.913 Å)
Cite:Tuning Radical Relay Residues by Proton Management Rescues Protein Electron Hopping.
J.Am.Chem.Soc., 141, 2019
1WQ5
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BU of 1wq5 by Molmil
Crystal structure of tryptophan synthase alpha-subunit from Escherichia coli
Descriptor: GLYCEROL, SULFATE ION, Tryptophan synthase alpha chain
Authors:Nishio, K, Morimoto, Y, Ishizuka, M, Ogasahara, K, Yutani, K, Tsukihara, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-09-22
Release date:2005-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Changes in the alpha-Subunit Coupled to Binding of the beta(2)-Subunit of Tryptophan Synthase from Escherichia coli: Crystal Structure of the Tryptophan Synthase alpha-Subunit Alon
Biochemistry, 44, 2005
4BDS
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BU of 4bds by Molmil
Human butyrylcholinesterase in complex with tacrine
Descriptor: 1-formyl-L-proline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
Deposit date:2012-10-06
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human Cholinesterases in Complex with Huprine W and Tacrine: Elements of Specificity for Anti-Alzheimer'S Drugs Targeting Acetyl- and Butyrylcholinesterase.
Biochem.J., 453, 2013
6HK0
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BU of 6hk0 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) F16'S pore mutant (F247S) with alternate M4 conformation.
Descriptor: Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE
Authors:Nury, H, Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
Deposit date:2018-09-04
Release date:2019-10-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
4BDT
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BU of 4bdt by Molmil
Human acetylcholinesterase in complex with huprine W and fasciculin 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ...
Authors:Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
Deposit date:2012-10-06
Release date:2013-05-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase.
Biochem. J., 453, 2013
3MDD
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BU of 3mdd by Molmil
CRYSTAL STRUCTURES OF MEDIUM CHAIN ACYL-COA DEHYDROGENASE FROM PIG LIVER MITOCHONDRIA WITH AND WITHOUT SUBSTRATE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE
Authors:Kim, J.-J.P, Wang, M, Paschke, R.
Deposit date:1994-07-13
Release date:1994-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of medium-chain acyl-CoA dehydrogenase from pig liver mitochondria with and without substrate.
Proc.Natl.Acad.Sci.USA, 90, 1993
3MDE
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BU of 3mde by Molmil
CRYSTAL STRUCTURES OF MEDIUM CHAIN ACYL-COA DEHYDROGENASE FROM PIG LIVER MITOCHONDRIA WITH AND WITHOUT SUBSTRATE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE, OCTANOYL-COENZYME A
Authors:Kim, J.-J.P, Wang, M, Paschke, R.
Deposit date:1994-07-13
Release date:1994-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of medium-chain acyl-CoA dehydrogenase from pig liver mitochondria with and without substrate.
Proc.Natl.Acad.Sci.USA, 90, 1993
6QSY
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BU of 6qsy by Molmil
Engineered streptavidin variant (H--WY) in complex with the Strep-tag II peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Strep-tag II peptide, Streptavidin, ...
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-02-22
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6QW4
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BU of 6qw4 by Molmil
Engineered streptavidin variant (ACGR) in complex with the Strep-tag II peptide
Descriptor: Strep-tag II peptide, Streptavidin
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-03-05
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6UQD
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BU of 6uqd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a SuFEx-based optimized small molecule inhibitor
Descriptor: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2019-10-18
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020

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