1UMD
 
 | | branched-chain 2-oxo acid dehydrogenase (E1) from Thermus thermophilus HB8 with 4-methyl-2-oxopentanoate as an intermediate | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, 2-oxo acid dehydrogenase alpha subunit, 2-oxo acid dehydrogenase beta subunit, ... | | Authors: | Nakai, T, Nakagawa, N, Maoka, N, Masui, R, Kuramitsu, S, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-09-25 | | Release date: | 2004-03-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand-induced Conformational Changes and a Reaction Intermediate in Branched-chain 2-Oxo Acid Dehydrogenase (E1) from Thermus thermophilus HB8, as Revealed by X-ray Crystallography
J.Mol.Biol., 337, 2004
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3BKR
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4EY6
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine | | Descriptor: | (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3983 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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4EY5
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3012 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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3K6X
 | | M. acetivorans Molybdate-Binding Protein (ModA) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel | | Descriptor: | MOLYBDATE ION, SULFATE ION, Solute-binding protein MA_0280 | | Authors: | Chan, S, Chernishof, I, Giuroiu, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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3BKS
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1FQD
 | | CRYSTAL STRUCTURE OF MALTOTETRAITOL BOUND TO CLOSED-FORM MALTODEXTRIN BINDING PROTEIN | | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-D-glucose | | Authors: | Duan, X, Hall, J.A, Nikaido, H, Quiocho, F.A. | | Deposit date: | 2000-09-04 | | Release date: | 2001-03-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the maltodextrin/maltose-binding protein complexed with reduced oligosaccharides: flexibility of tertiary structure and ligand binding.
J.Mol.Biol., 306, 2001
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1FQB
 | | STRUCTURE OF MALTOTRIOTOL BOUND TO OPEN-FORM MALTODEXTRIN BINDING PROTEIN IN P2(1)CRYSTAL FORM | | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-sorbitol | | Authors: | Duan, X, Hall, J.A, Nikaido, H, Quiocho, F.A. | | Deposit date: | 2000-09-04 | | Release date: | 2001-03-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the maltodextrin/maltose-binding protein complexed with reduced oligosaccharides: flexibility of tertiary structure and ligand binding.
J.Mol.Biol., 306, 2001
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1FQA
 | | STRUCTURE OF MALTOTETRAITOL BOUND TO OPEN-FORM MALTODEXTRIN BINDING PROTEIN IN P2(1)CRYSTAL FORM | | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-sorbitol | | Authors: | Duan, X, Hall, J.A, Nikaido, H, Quiocho, F.A. | | Deposit date: | 2000-09-04 | | Release date: | 2001-03-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the maltodextrin/maltose-binding protein complexed with reduced oligosaccharides: flexibility of tertiary structure and ligand binding.
J.Mol.Biol., 306, 2001
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4M4G
 | | Crystal structure of ligand binding domain of CysB, a LysR member from Salmonella typhimurium LT2 in complex with effector ligand, N-acetylserine. | | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional regulator CysB, N-ACETYL-SERINE | | Authors: | Mittal, M, Singh, A.K, Kumaran, S. | | Deposit date: | 2013-08-07 | | Release date: | 2014-08-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of ligand binding domain of CysB, a LysR member from Salmonella typhimurium LT2 in complex with effector ligand, N-acetylserine
To be Published
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7PHR
 | | Structure of a fully assembled T-cell receptor engaging a tumor-associated peptide-MHC I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Susac, L, Thomas, C, Tampe, R. | | Deposit date: | 2021-08-18 | | Release date: | 2022-08-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC.
Cell, 185, 2022
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2YME
 | | Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron | | Descriptor: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | | Authors: | Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C. | | Deposit date: | 2012-10-09 | | Release date: | 2012-12-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Ligand Recognition in 5-Ht3 Receptors.
Embo Rep., 14, 2013
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5YV8
 | | Structure of CaMKK2 in complex with CKI-002 | | Descriptor: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.927 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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6FTZ
 | | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6 | | Descriptor: | Complement factor D, ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide | | Authors: | Ostermann, N. | | Deposit date: | 2018-02-26 | | Release date: | 2018-06-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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8BHH
 | | The crystal structure of a feruloyl esterase C from Fusarium oxysporum in complex with p-coumaric acid | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-HYDROXYCINNAMIC ACID, ... | | Authors: | Dimarogona, M, Topakas, E, Kosinas, C, Ferousi, C, Nikolaivits, E. | | Deposit date: | 2022-10-31 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of the Fusarium oxysporum tannase-like feruloyl esterase FaeC in complex with p-coumaric acid provides insight into ligand binding.
Febs Lett., 597, 2023
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5YVC
 | | Structure of CaMKK2 in complex with CKI-012 | | Descriptor: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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3NY2
 | | Structure of the ubr-box of UBR2 ubiquitin ligase | | Descriptor: | E3 ubiquitin-protein ligase UBR2, ZINC ION | | Authors: | Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K. | | Deposit date: | 2010-07-14 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
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7CUO
 | | IclR transcription factor complexed with 4-hydroxybenzoic acid from Microbacterium hydrocarbonoxydans | | Descriptor: | P-HYDROXYBENZOIC ACID, SULFATE ION, Transcription factor | | Authors: | Akiyama, T, Ito, S, Sasaki, Y, Yajima, S. | | Deposit date: | 2020-08-23 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the conformational changes in Microbacterium hydrocarbonoxydans IclR transcription factor homolog due to ligand binding.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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2JGS
 | | Circular permutant of avidin | | Descriptor: | BIOTIN, CIRCULAR PERMUTANT OF AVIDIN | | Authors: | Maatta, J.A.E, Hytonen, V.P, Airenne, T.T, Niskanen, E, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | | Deposit date: | 2007-02-14 | | Release date: | 2008-03-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational Modification of Ligand-Binding Preference of Avidin by Circular Permutation and Mutagenesis.
Chembiochem, 9, 2008
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8XIS
 | | Cellodextrin phosphorylase from Clostridium thermocellum mutant - all cysteine residues were substituted with serines | | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuga, T, Sunagawa, N, Igarashi, K. | | Deposit date: | 2023-12-19 | | Release date: | 2024-12-25 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Effect of Free Cysteine Residues to Serine Mutation on Cellodextrin Phosphorylase.
J Appl Glycosci (1999), 71, 2024
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8XIL
 | | Cellodextrin phosphorylase from Clostridium thermocellum mutant - all cysteine residues were substituted with serines | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Kuga, T, Sunagawa, N, Igarashi, K. | | Deposit date: | 2023-12-19 | | Release date: | 2024-12-25 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Effect of Free Cysteine Residues to Serine Mutation on Cellodextrin Phosphorylase.
J Appl Glycosci (1999), 71, 2024
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1MFL
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6JLP
 | | XFEL structure of cyanobacterial photosystem II (3F state, dataset2) | | 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: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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3KNS
 | | Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) | | Descriptor: | ACETIC ACID, Beta-lactamase 2, GLYCEROL, ... | | Authors: | Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J. | | Deposit date: | 2009-11-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
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5B41
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-03-23 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics
J.Med.Chem., 59, 2016
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