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5F9A
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BU of 5f9a by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with blood group H Lewis b hexasaccharide
Descriptor: Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
Deposit date:2015-12-09
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
2CNB
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BU of 2cnb by Molmil
Trypanosoma brucei UDP-galactose-4-epimerase in ternary complex with NAD and the substrate analogue UDP-4-deoxy-4-fluoro-alpha-D-galactose
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE-4-EPIMERASE, URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
Authors:Alphey, M.S, Ferguson, M.A.J, Hunter, W.N.
Deposit date:2006-05-18
Release date:2006-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad+ and the Substrate Analogue Udp-4-Deoxy-4-Fluoro-Alpha-D-Galactose
Acta Crystallogr.,Sect.F, 62, 2006
2BFY
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BU of 2bfy by Molmil
Complex of Aurora-B with INCENP and Hesperadin.
Descriptor: AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
Authors:Sessa, F, Mapelli, M, Ciferri, C, Tarricone, C, Areces, L.B, Schneider, T.R, Stukenberg, P.T, Musacchio, A.
Deposit date:2004-12-15
Release date:2005-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Aurora B Activation by Incenp and Inhibition by Hesperadin
Mol.Cell, 18, 2005
5FMF
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BU of 5fmf by Molmil
the P-lobe of RNA polymerase II pre-initiation complex
Descriptor: DNA REPAIR HELICASE RAD25, SSL2, DNA REPAIR HELICASE RAD3, ...
Authors:Murakami, K, Tsai, K, Kalisman, N, Bushnell, D.A, Asturias, F.J, Kornberg, R.D.
Deposit date:2015-11-03
Release date:2015-11-25
Last modified:2017-07-12
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structure of an RNA Polymerase II Pre-Initiation Complex
Proc.Natl.Acad.Sci.USA, 112, 2015
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
Descriptor: Nanobody, RNA2 polyprotein
Authors:Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
Deposit date:2015-11-22
Release date:2016-01-20
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
2BFX
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BU of 2bfx by Molmil
Mechanism of Aurora-B activation by INCENP and inhibition by Hesperadin.
Descriptor: AURORA KINASE B-A, INNER CENTROMERE PROTEIN A
Authors:Sessa, F, Mapelli, M, Ciferri, C, Tarricone, C, Areces, L.B, Schneider, T.R, Stukenberg, P.T, Musacchio, A.
Deposit date:2004-12-15
Release date:2005-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Aurora B Activation by Incenp and Inhibition by Hesperadin
Mol.Cell, 18, 2005
3C8D
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BU of 3c8d by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-glycine
Descriptor: CITRIC ACID, Enterochelin esterase
Authors:Kim, Y, Maltseva, N, Abergel, R, Holzle, D, Raymond, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-11
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
5HHT
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BU of 5hht by Molmil
Crystal structure of E. coli transketolase triple variant Ser385Tyr/Asp469Thr/Arg520Gln
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Dai, S, Tittmann, K.
Deposit date:2016-01-11
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of an Evolved Transketolase Reveals Divergent Binding Modes.
Sci Rep, 6, 2016
2BVN
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BU of 2bvn by Molmil
E. coli EF-Tu:GDPNP in complex with the antibiotic enacyloxin IIa
Descriptor: ELONGATION FACTOR TU, ENACYLOXIN IIA, MAGNESIUM ION, ...
Authors:Parmeggiani, A, Krab, I.M, Watanabe, T, Nielsen, R.C, Dahlberg, C, Nyborg, J, Nissen, P.
Deposit date:2005-06-30
Release date:2005-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enacyloxin Iia Pinpoints a Binding Pocket of Elongation Factor TU for Development of Novel Antibiotics.
J.Biol.Chem., 281, 2006
2BOF
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BU of 2bof by Molmil
Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with cellotetrose
Descriptor: ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A.
Deposit date:2005-04-10
Release date:2005-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
2BXU
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BU of 2bxu by Molmil
Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker
Descriptor: 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN
Authors:Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A.
Deposit date:2005-07-27
Release date:2006-10-26
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
5FG6
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BU of 5fg6 by Molmil
Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Bromodomain-containing protein 1, ...
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
Deposit date:2015-12-20
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
To Be Published
1PN6
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BU of 1pn6 by Molmil
Domain-wise fitting of the crystal structure of T.thermophilus EF-G into the low resolution map of the release complex.Puromycin.EFG.GDPNP of E.coli 70S ribosome.
Descriptor: Elongation factor G
Authors:Valle, M, Zavialov, A, Sengupta, J, Rawat, U, Ehrenberg, M, Frank, J.
Deposit date:2003-06-12
Release date:2003-07-15
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:Locking and Unlocking of Ribosomal Motions
Cell(Cambridge,Mass.), 114, 2003
1GV3
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BU of 1gv3 by Molmil
The 2.0 Angstrom resolution structure of the catalytic portion of a cyanobacterial membrane-bound manganese superoxide dismutase
Descriptor: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
Authors:Atzenhofer, W, Regelsberger, G, Jacob, U, Huber, R, Peschek, G.A, Obinger, C.
Deposit date:2002-02-05
Release date:2002-08-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0A Resolution Structure of the Catalytic Portion of a Cyanobacterial Membrane-Bound Manganese Superoxide Dismutase
J.Mol.Biol., 321, 2002
1PS5
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BU of 1ps5 by Molmil
STRUCTURE OF THE MONOCLINIC C2 FORM OF HEN EGG-WHITE LYSOZYME AT 2.0 ANGSTROMS RESOLUTION
Descriptor: Lysozyme C, SULFATE ION
Authors:Majeed, S, Ofek, G, Belachew, A, Huang, C, Zhou, T, Kwong, P.D.
Deposit date:2003-06-20
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhancing Protein Crystallization through Precipitant Synergy
Structure, 11, 2003
1H8V
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BU of 1h8v by Molmil
The X-ray Crystal Structure of the Trichoderma reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE
Authors:Sandgren, M, Shaw, A, Ropp, T.H, Wu, S, Bott, R, Cameron, A.D, Stahlberg, J, Mitchinson, C, Jones, T.A.
Deposit date:2001-02-16
Release date:2001-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The X-Ray Crystal Structure of the Trichoderma Reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution
J.Mol.Biol., 308, 2001
1A3K
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BU of 1a3k by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-3 CARBOHYDRATE RECOGNITION DOMAIN (CRD) AT 2.1 ANGSTROM RESOLUTION
Descriptor: GALECTIN-3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Seetharaman, J, Kanigsberg, A, Slaaby, R, Leffler, H, Barondes, S.H, Rini, J.M.
Deposit date:1998-01-22
Release date:1998-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of the human galectin-3 carbohydrate recognition domain at 2.1-A resolution.
J.Biol.Chem., 273, 1998
5FG4
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BU of 5fg4 by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe
Descriptor: 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Peregrin
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
Deposit date:2015-12-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe
To Be Published
1H15
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BU of 1h15 by Molmil
X-ray crystal structure of HLA-DRA1*0101/DRB5*0101 complexed with a peptide from Epstein Barr Virus DNA polymerase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA POLYMERASE, ...
Authors:Lang, H, Jacobsen, H, Ikemizu, S, Andersson, C, Harlos, K, Madsen, L, Hjorth, P, Sondergaard, L, Svejgaard, A, Wucherpfennig, K, Stuart, D.I, Bell, J.I, Jones, E.Y, Fugger, L.
Deposit date:2002-07-02
Release date:2002-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Functional and Structural Basis for Tcr Cross-Reactivity in Multiple Sclerosis
Nat.Immunol., 3, 2002
2H9H
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BU of 2h9h by Molmil
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Descriptor: Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide
Authors:Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
Deposit date:2006-06-09
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors.
J.Mol.Biol., 361, 2006
1PIS
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BU of 1pis by Molmil
SOLUTION STRUCTURE OF PORCINE PANCREATIC PHOSPHOLIPASE A2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Van Den Berg, B.D, Tessari, M, De Haas, G.H, Verheij, H.M, Boelens, R, Kaptein, R.
Deposit date:1994-12-22
Release date:1995-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of porcine pancreatic phospholipase A2.
EMBO J., 14, 1995
2CRO
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BU of 2cro by Molmil
STRUCTURE OF PHAGE 434 CRO PROTEIN AT 2.35 ANGSTROMS RESOLUTION
Descriptor: REGULATORY PROTEIN CRO
Authors:Mondragon, A, Wolberger, C, Harrison, S.C.
Deposit date:1988-12-08
Release date:1989-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of phage 434 Cro protein at 2.35 A resolution.
J.Mol.Biol., 205, 1989
1PIR
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BU of 1pir by Molmil
SOLUTION STRUCTURE OF PORCINE PANCREATIC PHOSPHOLIPASE A2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Van Den Berg, B.D, Tessari, M, De Haas, G.H, Verheij, H.M, Boelens, R, Kaptein, R.
Deposit date:1994-12-22
Release date:1995-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of porcine pancreatic phospholipase A2.
EMBO J., 14, 1995
2CAH
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BU of 2cah by Molmil
STRUCTURE OF PROTEUS MIRABILIS PR CATALASE FOR THE NATIVE FORM (E-FE(III)) COMPLEXED WITH NADPH
Descriptor: CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gouet, P, Jouve, H.-M, Dideberg, O.
Deposit date:1996-07-01
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Proteus mirabilis PR catalase with and without bound NADPH.
J.Mol.Biol., 249, 1995
1GXS
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BU of 1gxs by Molmil
Crystal Structure of Hydroxynitrile Lyase from Sorghum bicolor in Complex with Inhibitor Benzoic Acid: a novel cyanogenic enzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZOIC ACID, DECANOIC ACID, ...
Authors:Lauble, H, Miehlich, B, Foerster, S, Wajant, H, Effenberger, F.
Deposit date:2002-04-11
Release date:2002-10-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Hydroxynitrile Lyase from Sorghum Bicolor in Complex with the Inhibitor Benzoic Acid: A Novel Cyanogenic Enzyme
Biochemistry, 41, 2002

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