1GZP
 
 | | CD1b in complex with GM2 ganglioside | | Descriptor: | B2-MICROGLOBULIN, DOCOSANE, DODECANE, ... | | Authors: | Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V. | | Deposit date: | 2002-05-24 | | Release date: | 2002-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human CD1b with bound ligands at 2.3 A, a maze for alkyl chains.
Nat. Immunol., 3, 2002
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1DWR
 | | MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | | Deposit date: | 1999-12-11 | | Release date: | 2000-03-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
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2MM3
 | | Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate | | Descriptor: | GLYCOCHENODEOXYCHOLIC ACID, GLYCOCHOLIC ACID, Gastrotropin | | Authors: | Horvath, G, Egyed, O, Bencsura, A, Simon, A, Tochtrop, G.P, DeKoster, G.T, Covey, D.F, Cistola, D.P, Toke, O. | | Deposit date: | 2014-03-07 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR
FEBS J., 283, 2016
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3VX7
 | | Crystal structure of Kluyveromyces marxianus Atg7NTD-Atg10 complex | | Descriptor: | E1, E2 | | Authors: | Yamaguchi, M, Matoba, K, Sawada, R, Fujioka, Y, Nakatogawa, H, Yamamoto, H, Kobashigawa, Y, Hoshida, H, Akada, R, Ohsumi, Y, Noda, N.N, Inagaki, F. | | Deposit date: | 2012-09-11 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Noncanonical recognition and UBL loading of distinct E2s by autophagy-essential Atg7.
Nat.Struct.Mol.Biol., 19, 2012
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4BVN
 | | Ultra-thermostable beta1-adrenoceptor with cyanopindolol bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, ... | | Authors: | Miller, J, Nehme, R, Warne, T, Edwards, P.C, Leslie, A.G.W, Schertler, G, Tate, C.G. | | Deposit date: | 2013-06-26 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1 A Resolution Structure of Cyanopindolol-Bound Beta1- Adrenoceptor Identifies an Intramembrane Na+ Ion that Stabilises the Ligand-Free Receptor.
Plos One, 9, 2014
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3VX6
 | | Crystal structure of Kluyveromyces marxianus Atg7NTD | | Descriptor: | E1 | | Authors: | Yamaguchi, M, Matoba, K, Sawada, R, Fujioka, Y, Nakatogawa, H, Yamamoto, H, Kobashigawa, Y, Hoshida, H, Akada, R, Ohsumi, Y, Noda, N.N, Inagaki, F. | | Deposit date: | 2012-09-11 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Noncanonical recognition and UBL loading of distinct E2s by autophagy-essential Atg7.
Nat.Struct.Mol.Biol., 19, 2012
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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3MF9
 | | Computationally designed endo-1,4-beta-xylanase | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Morin, A, Harp, J.M. | | Deposit date: | 2010-04-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
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4LBY
 | | Identifying ligand binding hot spots in proteins using brominated fragments | | Descriptor: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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1DWS
 | | PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART) | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | | Deposit date: | 1999-12-11 | | Release date: | 2000-03-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
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6JLO
 | | XFEL structure of cyanobacterial photosystem II (2F 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: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 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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6F56
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8HST
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1DWT
 | | Photorelaxed horse heart MYOGLOBIN CO complex | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | | Deposit date: | 1999-12-12 | | Release date: | 2000-03-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
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6JLL
 | | XFEL structure of cyanobacterial photosystem II (2F state, dataset1) | | 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: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 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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3PN4
 | | Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) in complex with actinonin (crystallized in PEG-550-MME) | | Descriptor: | ACTINONIN, Peptide deformylase 1B, chloroplastic, ... | | Authors: | Fieulaine, S, Meinnel, T, Giglione, C. | | Deposit date: | 2010-11-18 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Trapping conformational States along ligand-binding dynamics of Peptide deformylase: the impact of induced fit on enzyme catalysis.
Plos Biol., 9, 2011
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3M6P
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1N7G
 | | Crystal Structure of the GDP-mannose 4,6-dehydratase ternary complex with NADPH and GDP-rhamnose. | | Descriptor: | GDP-D-mannose-4,6-dehydratase, GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mulichak, A.M, Bonin, C.P, Reiter, W.-D, Garavito, R.M. | | Deposit date: | 2002-11-14 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the MUR1 GDP-mannose 4,6-dehydratase
from A. thaliana: Implications for ligand binding and
specificity.
Biochemistry, 41, 2002
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1CUJ
 | | CUTINASE, S120C MUTANT | | Descriptor: | CUTINASE | | Authors: | Martinez, C, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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2V9A
 | | Structure of Citrate-free Periplasmic Domain of Sensor Histidine Kinase CitA | | Descriptor: | SENSOR KINASE CITA | | Authors: | Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S. | | Deposit date: | 2007-08-23 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita.
J.Mol.Biol., 377, 2008
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1CUY
 | | CUTINASE, L189F MUTANT | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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5T7N
 | | X-ray crystal structure of AA13 LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
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1GZQ
 | | CD1b in complex with Phophatidylinositol | | Descriptor: | 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE, B2-MICROGLOBULIN, DOCOSANE, ... | | Authors: | Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V. | | Deposit date: | 2002-05-24 | | Release date: | 2002-07-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of Human Cd1B with Bound Ligands at 2.3 A, a Maze for Alkyl Chains
Nat.Immunol., 3, 2002
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1CUW
 | | CUTINASE, G82A, A85F, V184I, A185L, L189F MUTANT | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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1CUE
 | | CUTINASE, Q121L MUTANT | | Descriptor: | CUTINASE | | Authors: | Martinez, C, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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