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2GKT
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BU of 2gkt by Molmil
Crystal structure of the P14'-Ala32 variant of the N-terminally truncated OMTKY3-del(1-5)
Descriptor: Ovomucoid
Authors:Lee, T.W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:2006-04-03
Release date:2007-02-13
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural Insights into the Non-additivity Effects in the Sequence-to-Reactivity Algorithm for Serine Peptidases and their Inhibitors.
J.Mol.Biol., 367, 2007
2VR2
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BU of 2vr2 by Molmil
Human Dihydropyrimidinase
Descriptor: CHLORIDE ION, DIHYDROPYRIMIDINASE, ZINC ION
Authors:Welin, M, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-03-25
Release date:2008-04-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of Human Dihydropyrimidinase
To be Published
4B6W
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BU of 4b6w by Molmil
Architecture of Trypanosoma brucei Tubulin-Binding cofactor B
Descriptor: 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE
Authors:Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N.
Deposit date:2012-08-15
Release date:2012-08-22
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
2GKR
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BU of 2gkr by Molmil
Crystal structure of the N-terminally truncated OMTKY3-del(1-5)
Descriptor: CHLORIDE ION, Ovomucoid
Authors:Lee, T.W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:2006-04-03
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural Insights into the Non-additivity Effects in the Sequence-to-Reactivity Algorithm for Serine Peptidases and their Inhibitors.
J.Mol.Biol., 367, 2007
2R9Y
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BU of 2r9y by Molmil
Structure of antiplasmin
Descriptor: Alpha-2-antiplasmin
Authors:Law, R.H.P, Sofian, T, Kan, W.T, Horvath, A.J, Hitchen, C.R, Langendorf, C.G, Buckle, A.M, Whisstock, J.C, Coughlin, P.B.
Deposit date:2007-09-14
Release date:2007-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-ray crystal structure of the fibrinolysis inhibitor {alpha}2-antiplasmin
Blood, 111, 2008
3ZVA
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BU of 3zva by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75
Descriptor: 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3TEX
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BU of 3tex by Molmil
Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.7-A resolution
Descriptor: CALCIUM ION, Protective antigen
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012
3TEW
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BU of 3tew by Molmil
Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.45-A resolution
Descriptor: 2-METHOXYETHANOL, CALCIUM ION, Protective antigen
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012
2WPO
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BU of 2wpo by Molmil
HCMV protease inhibitor complex
Descriptor: (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide, HUMAN CYTOMEGALOVIRUS PROTEASE
Authors:Tong, L, Qian, C, Massariol, M.-J, Deziel, R, Yoakim, C, Lagace, L.
Deposit date:1998-08-04
Release date:1999-08-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease.
Nat.Struct.Biol., 5, 1998
1WQS
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BU of 1wqs by Molmil
Crystal structure of Norovirus 3C-like protease
Descriptor: 3C-like protease, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ...
Authors:Nakamura, K, Someya, Y, Kumasaka, T, Tanaka, N.
Deposit date:2004-10-01
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A norovirus protease structure provides insights into active and substrate binding site integrity
J.Virol., 79, 2005
3UFA
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BU of 3ufa by Molmil
Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor
Descriptor: CHLORIDE ION, N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide, Serine protease splA
Authors:Zdzalik, M, Pietrusewicz, E, Pustelny, K, Stec-Niemczyk, J, Popowicz, G.M, Potempa, J, Oleksyszyn, J, Dubin, G.
Deposit date:2011-10-31
Release date:2013-01-23
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Protein Sci., 23, 2014
3SY3
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BU of 3sy3 by Molmil
GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis
Descriptor: GBAA_1210 protein, PHOSPHATE ION
Authors:Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-07-15
Release date:2011-07-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis.
To be Published
3QXX
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BU of 3qxx by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid
Descriptor: 1,2-ETHANEDIOL, 8-aminooctanoic acid, Dethiobiotin synthetase, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXH
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BU of 3qxh by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ADP and 8-aminocaprylic acid
Descriptor: 1,2-ETHANEDIOL, 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Minor, C, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXS
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BU of 3qxs by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ANP
Descriptor: 1,2-ETHANEDIOL, Dethiobiotin synthetase, MAGNESIUM ION, ...
Authors:Klimecka, M.M, Porebski, P.J, Chruszcz, M, Jablonska, K, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXC
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BU of 3qxc by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXJ
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BU of 3qxj by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GTP
Descriptor: 1,2-ETHANEDIOL, Dethiobiotin synthetase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Klimecka, M.M, Porebski, P.J, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QY0
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BU of 3qy0 by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Dethiobiotin synthetase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3Q8A
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BU of 3q8a by Molmil
Crystal structure of WT Protective Antigen (pH 5.5)
Descriptor: CALCIUM ION, Protective antigen
Authors:Rajapaksha, M, Lovell, S, Janowiak, B.E, Andra, K.K, Battaile, K.P, Bann, J.G.
Deposit date:2011-01-06
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.129 Å)
Cite:pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2.
Protein Sci., 21, 2012
1UOQ
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BU of 1uoq by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND GLU-PHE-SER-PRO
Descriptor: GLYCEROL, PEPTIDE LIGAND GLU-PHE-SER-PRO, PROLYL ENDOPEPTIDASE
Authors:Rea, D, Fulop, V.
Deposit date:2003-09-22
Release date:2003-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding
J.Biol.Chem., 278, 2003
3Q8B
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BU of 3q8b by Molmil
Crystal structure of WT Protective Antigen (pH 9.0)
Descriptor: CALCIUM ION, Protective antigen
Authors:Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G.
Deposit date:2011-01-06
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2.
Protein Sci., 21, 2012
1UOO
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BU of 1uoo by Molmil
Prolyl oligopeptidase from porcine brain, S554A mutant with bound peptide ligand GLY-PHE-ARG-PRO
Descriptor: GLYCEROL, PEPTIDE LIGAND GLY-PHE-ARG-PRO, PROLYL ENDOPEPTIDASE
Authors:Rea, D, Fulop, V.
Deposit date:2003-09-22
Release date:2003-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding
J.Biol.Chem., 278, 2003
3V3M
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BU of 3v3m by Molmil
Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
Authors:Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R.
Deposit date:2011-12-13
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
J.Med.Chem., 56, 2013
3TEZ
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BU of 3tez by Molmil
Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and dithiolacetone modified to 1.8-A resolution
Descriptor: 2-METHOXYETHANOL, ACETONE, CALCIUM ION, ...
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012
3TEY
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Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A resolution
Descriptor: CALCIUM ION, Protective antigen
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012

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