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4WQA
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BU of 4wqa by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization
Descriptor: 1,2-ETHANEDIOL, HEME C, IODIDE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQ8
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BU of 4wq8 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate soak
Descriptor: HEME C, IODIDE ION, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.3989 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQ9
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BU of 4wq9 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak
Descriptor: 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2021-09-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
8D8O
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BU of 8d8o by Molmil
Cryo-EM structure of substrate unbound PAPP-A
Descriptor: Pappalysin-1, ZINC ION
Authors:Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D.
Deposit date:2022-06-08
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
4WQC
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BU of 4wqc by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208N mutant
Descriptor: 1,2-ETHANEDIOL, HEME C, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
7L1U
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BU of 7l1u by Molmil
Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB)
Descriptor: Engineered Guanine nucleotide-binding protein subunit alpha, 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:Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K.
Deposit date:2020-12-15
Release date:2021-02-10
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
7L1V
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Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1
Descriptor: 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K.
Deposit date:2020-12-15
Release date:2021-02-10
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
7A54
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BU of 7a54 by Molmil
Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase A
Authors:Bridot, C, Bouckaert, J.
Deposit date:2020-08-20
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Polyvalent Transition-State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases*.
Chemistry, 27, 2021
1AVB
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BU of 1avb by Molmil
ARCELIN-1 FROM PHASEOLUS VULGARIS L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARCELIN-1, ...
Authors:Mourey, L, Pedelacq, J.D, Fabre, C, Rouge, P, Samama, J.P.
Deposit date:1997-09-15
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the arcelin-1 dimer from Phaseolus vulgaris at 1.9-A resolution.
J.Biol.Chem., 273, 1998
4XDK
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BU of 4xdk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
Descriptor: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
Authors:Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
1AUT
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BU of 1aut by Molmil
Human activated protein C
Descriptor: ACTIVATED PROTEIN C, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Mather, T, Oganessyan, V, Hof, P, Bode, W, Huber, R, Foundling, S, Esmon, C.
Deposit date:1996-06-08
Release date:1997-08-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The 2.8 A crystal structure of Gla-domainless activated protein C.
EMBO J., 15, 1996
1BH8
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BU of 1bh8 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE
Descriptor: TAFII18, TAFII28
Authors:Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
Deposit date:1998-06-16
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
4XDJ
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BU of 4xdj by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4XH9
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BU of 4xh9 by Molmil
CRYSTAL STRUCTURE OF HUMAN RHOA IN COMPLEX WITH DH/PH FRAGMENT OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR NET1
Descriptor: Neuroepithelial cell-transforming gene 1 protein, Transforming protein RhoA
Authors:Garcia, C, Petit, P, Boutin, J.A, Ferry, G, Vuillard, L.
Deposit date:2015-01-05
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural study of the complex between neuroepithelial cell transforming gene 1 (Net1) and RhoA reveals a potential anticancer drug hot spot.
J. Biol. Chem., 293, 2018
8PFE
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BU of 8pfe by Molmil
Crystal Structure of an Hexavariant of the b1 Domain of Human Neuropilin-1 in Complex with the KDKPPR Peptide
Descriptor: ACETATE ION, LYS-ASP-LYS-PRO-PRO-ARG, Neuropilin-1
Authors:Jelsch, C, Favier, F, Didierjean, C.
Deposit date:2023-06-15
Release date:2023-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand.
Molecules, 28, 2023
1BH9
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BU of 1bh9 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS
Descriptor: PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28
Authors:Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
Deposit date:1998-06-16
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
6Q0Q
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BU of 6q0q by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-(1-{3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranosyl}-1,2,3-triazol-4-yl)-methyl-b-D-galactopyranoside
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98601174 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
1BGK
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BU of 1bgk by Molmil
SEA ANEMONE TOXIN (BGK) WITH HIGH AFFINITY FOR VOLTAGE DEPENDENT POTASSIUM CHANNEL, NMR, 15 STRUCTURES
Descriptor: BGK
Authors:Dauplais, M, Lecoq, A, Song, J, Cotton, J, Jamin, N, Gilquin, B, Roumestand, C, Vita, C, Harvey, A, Menez, A.
Deposit date:1996-05-08
Release date:1997-01-27
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:On the convergent evolution of animal toxins. Conservation of a diad of functional residues in potassium channel-blocking toxins with unrelated structures.
J.Biol.Chem., 272, 1997
1AY0
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BU of 1ay0 by Molmil
IDENTIFICATION OF CATALYTICALLY IMPORTANT RESIDUES IN YEAST TRANSKETOLASE
Descriptor: CALCIUM ION, THIAMINE DIPHOSPHATE, TRANSKETOLASE
Authors:Wikner, C, Nilsson, U, Meshalkina, L, Udekwu, C, Lindqvist, Y, Schneider, G.
Deposit date:1997-11-13
Release date:1998-05-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of catalytically important residues in yeast transketolase.
Biochemistry, 36, 1997
6Q17
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BU of 6q17 by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
1C12
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BU of 1c12 by Molmil
INSIGHT IN ODORANT PERCEPTION: THE CRYSTAL STRUCTURE AND BINDING CHARACTERISTICS OF ANTIBODY FRAGMENTS DIRECTED AGAINST THE MUSK ODORANT TRASEOLIDE
Descriptor: PROTEIN (ANTIBODY FRAGMENT FAB), TRAZEOLIDE
Authors:Langedijk, A.C, Spinelli, S, Anguille, C, Hermans, P, Nederlof, J, Butenandt, J, Honegger, A, Cambillau, C, Pluckthun, A.
Deposit date:1999-07-20
Release date:1999-08-14
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insight into odorant perception: the crystal structure and binding characteristics of antibody fragments directed against the musk odorant traseolide.
J.Mol.Biol., 292, 1999
1C1F
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BU of 1c1f by Molmil
LIGAND-FREE CONGERIN I
Descriptor: PROTEIN (CONGERIN I)
Authors:Shirai, T, Mitsuyama, C, Niwa, Y, Matsui, Y, Hotta, H, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K.
Deposit date:1999-03-03
Release date:1999-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the conger eel galectin, congerin I, in lactose-liganded and ligand-free forms: emergence of a new structure class by accelerated evolution.
Structure Fold.Des., 7, 1999
1C1L
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BU of 1c1l by Molmil
LACTOSE-LIGANDED CONGERIN I
Descriptor: PROTEIN (CONGERIN I), beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Shirai, T, Mitsuyama, C, Niwa, Y, Matsui, Y, Hotta, H, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K.
Deposit date:1999-03-03
Release date:1999-10-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution structure of the conger eel galectin, congerin I, in lactose-liganded and ligand-free forms: emergence of a new structure class by accelerated evolution.
Structure Fold.Des., 7, 1999
1C95
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BU of 1c95 by Molmil
Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex TRP-D(TGCGCAC)2
Descriptor: 5'-D((5AT)TP*GP*CP*GP*CP*AP*C)-3', TRYPTOPHAN
Authors:Ho, W.C, Steinbeck, C, Richert, C.
Deposit date:1999-07-31
Release date:1999-10-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex (W-TGCGCAC)(2).
Biochemistry, 38, 1999

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