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6WI1
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BU of 6wi1 by Molmil
GluN1b-GluN2B NMDA receptor in active conformation stabilized by inter-GluN1b-GluN2B subunit cross-linking
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ionotropic glutamate receptor , ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-07-15
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
6WHR
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BU of 6whr by Molmil
GluN1b-GluN2B NMDA receptor in non-active 2 conformation at 4 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-08-05
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
1G7N
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BU of 1g7n by Molmil
Toward changing specificity: adipocyte lipid binding protein mutant, apo form
Descriptor: ADIPOCYTE LIPID-BINDING PROTEIN, PHOSPHATE ION
Authors:Reese, A.J, Banaszak, L.J.
Deposit date:2000-11-10
Release date:2003-06-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Specificity determinants for lipids bound to beta-barrel proteins.
J.Lipid Res., 45, 2004
3AVQ
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BU of 3avq by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with N9-Pan
Descriptor: (2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide, CITRATE ANION, GLYCEROL, ...
Authors:Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M.
Deposit date:2011-03-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
1A37
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BU of 1a37 by Molmil
14-3-3 PROTEIN ZETA BOUND TO PS-RAF259 PEPTIDE
Descriptor: 14-3-3 PROTEIN ZETA, PS-RAF259 PEPTIDE LSQRQRST(SEP)TPNVHM
Authors:Petosa, C, Masters, S.C, Pohl, J, Wang, B, Fu, H, Liddington, R.C.
Deposit date:1998-01-28
Release date:1999-03-02
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:14-3-3zeta binds a phosphorylated Raf peptide and an unphosphorylated peptide via its conserved amphipathic groove.
J.Biol.Chem., 273, 1998
1PNC
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BU of 1pnc by Molmil
ACCURACY AND PRECISION IN PROTEIN CRYSTAL STRUCTURE ANALYSIS: TWO INDEPENDENT REFINEMENTS OF THE STRUCTURE OF POPLAR PLASTOCYANIN AT 173K
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Fields, B.A, Guss, J.M, Freeman, H.C.
Deposit date:1993-09-22
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Accuracy and precision in protein crystal structure analysis: two independent refinements of the structure of poplar plastocyanin at 173 K.
Acta Crystallogr.,Sect.D, 50, 1994
5E74
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BU of 5e74 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
Authors:Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A.
Deposit date:2015-10-11
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
6AQG
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BU of 6aqg by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium ulcerans complexed with L-lysine and Cladosporin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-19
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium ulcerans complexed with L-lysine and Cladosporin
to be published
1G8W
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BU of 1g8w by Molmil
IMPROVED STRUCTURE OF PHYTOHEMAGGLUTININ-L FROM THE KIDNEY BEAN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, LEUCOAGGLUTINATING PHYTOHEMAGGLUTININ, ...
Authors:Buts, L, Hamelryck, T.W, Dao-Thi, M, Loris, R, Wyns, L, Etzler, M.E.
Deposit date:2000-11-21
Release date:2000-12-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Weak protein-protein interactions in lectins: the crystal structure of a vegetative lectin from the legume Dolichos biflorus.
J.Mol.Biol., 309, 2001
4H3S
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BU of 4h3s by Molmil
The Structure of Glutaminyl-tRNA Synthetase from Saccharomyces Cerevisiae
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, BROMIDE ION, ...
Authors:Snell, E.H, Grant, T.D.
Deposit date:2012-09-14
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of Yeast Glutaminyl-tRNA Synthetase and Modeling of Its Interaction with tRNA.
J.Mol.Biol., 425, 2013
4Q4S
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BU of 4q4s by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
2O5Z
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BU of 2o5z by Molmil
Crystal structure of the 1E9 LeuH47Trp/ArgH100Trp Fab 5-beta-androstane-3,17-dione complex
Descriptor: 5-BETA-ANDROSTANE-3,17-DIONE, SULFATE ION, chimeric antibody Fab 1E9-DB3
Authors:Verdino, P, Wilson, I.A.
Deposit date:2006-12-06
Release date:2007-12-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Closely related antibody receptors exploit fundamentally different strategies for steroid recognition.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4H8I
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BU of 4h8i by Molmil
Structure of GluK2-LBD in complex with GluAzo
Descriptor: (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Reiter, A, Skerra, A, Trauner, D, Schiefner, A.
Deposit date:2012-09-22
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A photoswitchable neurotransmitter analogue bound to its receptor.
Biochemistry, 52, 2013
4Q4R
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BU of 4q4r by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(Morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
4FL7
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BU of 4fl7 by Molmil
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
Descriptor: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2012-06-14
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48, 2012
2VNG
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BU of 2vng by Molmil
Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group A-trisaccharide ligand.
Descriptor: CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
Authors:Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B.
Deposit date:2008-02-04
Release date:2008-02-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
2CY0
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BU of 2cy0 by Molmil
Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8 in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, shikimate 5-dehydrogenase
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-01
Release date:2005-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Shikimate Dehydrogenase AroE from Thermus thermophilus HB8 and its Cofactor and Substrate Complexes: Insights into the Enzymatic Mechanism
J.Mol.Biol., 373, 2007
4COX
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BU of 4cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, INDOMETHACIN, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
3QHO
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BU of 3qho by Molmil
Crystal analysis of the complex structure, Y299F-cellotetraose, of endocellulase from pyrococcus horikoshii
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
2O69
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BU of 2o69 by Molmil
Crystal Structure of Haemophilus influenzae N193L mutant FbpA
Descriptor: FE (III) ION, Iron-utilization periplasmic protein
Authors:Shouldice, S.R, Tari, L.W.
Deposit date:2006-12-07
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the synergistic phosphate anion in iron transport by the periplasmic iron-binding protein from Haemophilus influenzae.
Biochem.J., 403, 2007
4Q4Q
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BU of 4q4q by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-[(Thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
3AVP
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BU of 3avp by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol
Descriptor: (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, CITRATE ANION, GLYCEROL, ...
Authors:Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M.
Deposit date:2011-03-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
2VN0
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BU of 2vn0 by Molmil
CYP2C8DH COMPLEXED WITH TROGLITAZONE
Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F.
Deposit date:2008-01-30
Release date:2008-04-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
1CNB
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BU of 1cnb by Molmil
COMPENSATORY PLASTIC EFFECTS IN THE REDESIGN OF PROTEIN-ZINC BINDING SITES
Descriptor: BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE II
Authors:Ippolito, J.A, Christianson, D.W.
Deposit date:1994-06-13
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural consequences of redesigning a protein-zinc binding site.
Biochemistry, 33, 1994
1CVE
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BU of 1cve by Molmil
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Ippolito, J.A, Christianson, D.W.
Deposit date:1994-06-21
Release date:1994-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural consequences of redesigning a protein-zinc binding site.
Biochemistry, 33, 1994

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