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3O8A
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BU of 3o8a by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348
Descriptor: Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Booker, M.L, Phillips, M.A.
Deposit date:2010-08-02
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model.
J.Biol.Chem., 285, 2010
6UUD
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BU of 6uud by Molmil
Crystal structure of antibody 5D5 in complex with PfCSP N-terminal peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5D5 Antibody Fab, ...
Authors:Thai, E, Scally, S.W, Julien, J.P.
Deposit date:2019-10-30
Release date:2020-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A high-affinity antibody against the CSP N-terminal domain lacks Plasmodium falciparum inhibitory activity.
J.Exp.Med., 217, 2020
4D9R
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BU of 4d9r by Molmil
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Descriptor: CHLORIDE ION, Complement factor D, Fab heavy chain, ...
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2012-01-11
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Inhibiting alternative pathway complement activation by targeting the factor d exosite.
J.Biol.Chem., 287, 2012
6UGK
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BU of 6ugk by Molmil
CRYSTAL STRUCTURE OF CIRCULARLY PERMUTED HUMAN TASPASE-1
Descriptor: CHLORIDE ION, SODIUM ION, Threonine aspartase 1,Threonine aspartase 1
Authors:Edwards, T.E, Delker, S.L.
Deposit date:2019-09-26
Release date:2021-03-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
4C1W
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BU of 4c1w by Molmil
Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 3'-sialyllactose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, NEURAMINIDASE
Authors:Yang, L, Connaris, H, Potter, J.A, Taylor, G.L.
Deposit date:2013-08-14
Release date:2014-08-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Prevention of Influenza by Targeting Host Receptors Using Engineered Proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
7K9P
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BU of 7k9p by Molmil
Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX.
Descriptor: CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P.
Deposit date:2020-09-29
Release date:2020-10-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
6VIN
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BU of 6vin by Molmil
Crystallographic structure of the circularly permuted human Taspase1 protein
Descriptor: Threonine aspartase 1
Authors:Martin-Garcia, J.M, Fromme, P.
Deposit date:2020-01-13
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
3BM3
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BU of 3bm3 by Molmil
Restriction endonuclease PspGI-substrate DNA complex
Descriptor: CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ...
Authors:Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M.
Deposit date:2007-12-12
Release date:2008-09-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides
To be Published
4NDB
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BU of 4ndb by Molmil
X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NDC
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BU of 4ndc by Molmil
X-ray structure of a mutant (T188D) of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NDD
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BU of 4ndd by Molmil
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
2R0L
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BU of 2r0l by Molmil
Short Form HGFA with Inhibitory Fab75
Descriptor: Hepatocyte growth factor activator, antibody heavy chain, Fab portion only, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2007-08-20
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5FD6
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BU of 5fd6 by Molmil
zinc-bound manganese uptake regulator
Descriptor: Ferric uptake regulation protein, GLYCEROL, SULFATE ION, ...
Authors:Bellini, D, Hemmings, A.M, Walsh, M.A.
Deposit date:2015-12-15
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:structure of a zinc-bound manganese uptake regulator, mur
To Be Published
3CVZ
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BU of 3cvz by Molmil
Structural insights into the molecular organization of the S-layer from Clostridium difficile
Descriptor: GLYCINE, PHOSPHATE ION, S-layer protein
Authors:Albesa-Jove, D, Fagan, R.
Deposit date:2008-04-20
Release date:2009-03-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the molecular organization of the S-layer from Clostridium difficile
Mol.Microbiol., 71, 2009
1MLH
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BU of 1mlh by Molmil
STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-06-15
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional effects of apolar mutations of the distal valine in myoglobin.
J.Mol.Biol., 245, 1995
1MLM
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BU of 1mlm by Molmil
STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-06-15
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional effects of apolar mutations of the distal valine in myoglobin.
J.Mol.Biol., 245, 1995
2R0K
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BU of 2r0k by Molmil
Protease domain of HGFA with inhibitor Fab58
Descriptor: Hepatocyte growth factor activator, antibody heavy chain of Fab58, Fab portion only, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2007-08-20
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
5TCZ
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BU of 5tcz by Molmil
NMR solution structure of engineered Protoxin-II analog
Descriptor: Beta/omega-theraphotoxin-Tp2a
Authors:Gibbs, A.C, Wickenden, A.D.
Deposit date:2016-09-16
Release date:2017-01-18
Method:SOLUTION NMR
Cite:Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor.
Sci Rep, 7, 2017
5OT1
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BU of 5ot1 by Molmil
The type III pullulan hydrolase from Thermococcus kodakarensis
Descriptor: CALCIUM ION, Pullulanase type II, GH13 family
Authors:Guo, J, Coker, A.R, Wood, S.P, Cooper, J.B, Keegan, R, Ahmad, N, Muhammad, M.A, Rashid, N, Akhtar, M.
Deposit date:2017-08-18
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of the type III pullulan hydrolase from Thermococcus kodakarensis.
Acta Crystallogr D Struct Biol, 74, 2018
8AEP
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BU of 8aep by Molmil
Reductase domain of the carboxylate reductase of Neurospora crassa
Descriptor: Acetyl-CoA synthetase-like protein, CHLORIDE ION, SULFATE ION
Authors:Daniel, B, Schrufer, A, Marlene, L, Sagmeister, T, Pavkov-Keller, T.
Deposit date:2022-07-13
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Reductase Domain of a Fungal Carboxylic Acid Reductase and Its Substrate Scope in Thioester and Aldehyde Reduction.
Acs Catalysis, 12, 2022
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
3TJO
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BU of 3tjo by Molmil
HtrA1 catalytic domain, mutationally inactivated
Descriptor: GLYCEROL, SULFATE ION, Serine protease HTRA1, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2011-08-24
Release date:2012-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural and Functional Analysis of HtrA1 and Its Subdomains.
Structure, 20, 2012
3TJN
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BU of 3tjn by Molmil
HtrA1 catalytic domain, apo form
Descriptor: Serine protease HTRA1
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2011-08-24
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Analysis of HtrA1 and Its Subdomains.
Structure, 20, 2012

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