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3TQ2
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BU of 3tq2 by Molmil
Merohedral twinning in protein crystals revealed a new synthetic three helix bundle motif
Descriptor: KE1, SULFATE ION
Authors:Geremia, S, De March, M.
Deposit date:2011-09-09
Release date:2012-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Analysis of the crystal structure of a parallel three-stranded coiled coil.
Proteins, 91, 2023
3TJU
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Crystal structure of human granzyme H with an inhibitor
Descriptor: Ac-PTSY-CMK inhibitor, Granzyme H, SULFATE ION
Authors:Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z.
Deposit date:2011-08-25
Release date:2011-12-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
2A5A
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Crystal structure of unbound SARS coronavirus main peptidase in the space group C2
Descriptor: 1,2-ETHANEDIOL, 3C-like peptidase, CHLORIDE ION
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
Deposit date:2005-06-30
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
3QHQ
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Structure of CRISPR-associated protein Csn2
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Sag0897 family CRISPR-associated protein
Authors:Ellinger, P, Arslan, Z, Wurm, R, Tschapek, B, Pfeffer, K, Wagner, R, Schmitt, L, Pul, U, Smits, S.H.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of CRISPR-associated protein Csn2
To be Published
1QL8
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
1QS8
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Crystal structure of the P. vivax aspartic proteinase plasmepsin complexed with the inhibitor pepstatin A
Descriptor: ACETATE ION, PEPSTATIN A, PLASMEPSIN
Authors:Khazanovich Bernstein, N, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.G.
Deposit date:1999-06-25
Release date:1999-07-07
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the activation of P. vivax plasmepsin.
J.Mol.Biol., 329, 2003
1QA7
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CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ...
Authors:Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G.
Deposit date:1999-04-15
Release date:1999-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV.
Virology, 265, 1999
3Q5Y
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V beta/V beta homodimerization-based pre-TCR model suggested by TCR beta crystal structures
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Chen, Q, Zhang, H, Wang, J.-H.
Deposit date:2010-12-30
Release date:2011-03-09
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A conserved hydrophobic patch on Vbeta domains revealed by TCRbeta chain crystal structures: implications for pre-TCR dimerization
Front Immunol, 2, 2011
3QO4
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BU of 3qo4 by Molmil
The Crystal Structure of Death Receptor 6
Descriptor: ACETATE ION, SULFATE ION, Tumor necrosis factor receptor superfamily member 21
Authors:Kuester, M, Kemmerzehl, S, Dahms, S.O, Roeser, D, Than, M.E.
Deposit date:2011-02-09
Release date:2011-05-18
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of death receptor 6 (DR6): a potential receptor of the amyloid precursor protein (APP).
J.Mol.Biol., 409, 2011
1QJ1
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BU of 1qj1 by Molmil
Novel Covalent Active Site Thrombin Inhibitors
Descriptor: 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
Authors:Jhoti, H, Cleasby, A.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QTF
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CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN B
Descriptor: EXFOLIATIVE TOXIN B
Authors:Vath, G.M, Earhart, C.A, Monie, D.D, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1999-06-27
Release date:1999-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of exfoliative toxin B: a superantigen with enzymatic activity.
Biochemistry, 38, 1999
3U3H
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BU of 3u3h by Molmil
X-Ray Crystallographic Analysis of D-Xylose Isomerase-Catalyzed Isomerization of (R)-Glyceraldehyde
Descriptor: (2R)-propane-1,1,2,3-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, FORMIC ACID, ...
Authors:Allen, K.N, Silvaggi, N.R, Toteva, M.M, Richard, J.P.
Deposit date:2011-10-05
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Binding Energy and Catalysis by d-Xylose Isomerase: Kinetic, Product, and X-ray Crystallographic Analysis of Enzyme-Catalyzed Isomerization of (R)-Glyceraldehyde.
Biochemistry, 50, 2011
3UES
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BU of 3ues by Molmil
Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis complexed with deoxyfuconojirimycin
Descriptor: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, Alpha-1,3/4-fucosidase, ...
Authors:Sakurama, H, Fushinobu, S, Yoshida, E, Honda, Y, Hidaka, M, Ashida, H, Kitaoka, M, Katayama, T, Yamamoto, K, Kumagai, H.
Deposit date:2011-10-31
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
J.Biol.Chem., 287, 2012
2ADA
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BU of 2ada by Molmil
ATOMIC STRUCTURE OF ADENOSINE DEAMINASE COMPLEXED WITH A TRANSITION-STATE ANALOG: UNDERSTANDING CATALYSIS AND IMMUNODEFICIENCY MUTATIONS
Descriptor: 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1994-12-02
Release date:1995-03-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Atomic structure of adenosine deaminase complexed with a transition-state analog: understanding catalysis and immunodeficiency mutations.
Science, 252, 1991
2AQ9
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Structure of E. coli LpxA with a bound peptide that is competitive with acyl-ACP
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Williams, A.H, Immormino, R.M, Gewirth, D.T, Raetz, C.R.
Deposit date:2005-08-17
Release date:2006-06-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of UDP-N-acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2AUC
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BU of 2auc by Molmil
Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor
Descriptor: Myosin A, Myosin A Tail Interacting Protein
Authors:Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-08-27
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3UET
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BU of 3uet by Molmil
Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis D172A/E217A mutant complexed with lacto-N-fucopentaose II
Descriptor: 1,2-ETHANEDIOL, Alpha-1,3/4-fucosidase, SODIUM ION, ...
Authors:Sakurama, H, Fushinobu, S, Yoshida, E, Honda, Y, Hidaka, M, Ashida, H, Kitaoka, M, Katayama, T, Yamamoto, K, Kumagai, H.
Deposit date:2011-10-31
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
J.Biol.Chem., 287, 2012
8SMU
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BU of 8smu by Molmil
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
Descriptor: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2023-04-26
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
Descriptor: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
Authors:Xue, Y, Hansson, S.K.
Deposit date:2008-05-29
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
8SEM
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BU of 8sem by Molmil
Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni
Descriptor: TRPV1 inhibitory peptide Tst2
Authors:Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-10
Release date:2023-09-27
Method:SOLUTION NMR
Cite:Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
3DEH
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BU of 3deh by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: Caspase-3, isoquinoline-1,3,4(2H)-trione
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
8SED
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BU of 8sed by Molmil
Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1
Descriptor: ShKT peptide ShKT-Ts1
Authors:Sanches, K, Siedoks, A.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-09
Release date:2023-10-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:Structure-function relationships in ShKT domain peptides: ShKT-Ts1 from the sea anemone Telmatactis stephensoni.
Proteins, 92, 2024
3D91
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Human renin in complex with remikiren
Descriptor: DIMETHYL SULFOXIDE, Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide, Renin
Authors:Prade, L, Bezencon, O, Bur, D, Weller, T, Fischli, W, Remen, L.
Deposit date:2008-05-26
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human renin in complex with remikiren
to be published
1EBM
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BU of 1ebm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE
Descriptor: 8-OXOGUANINE DNA GLYCOSYLASE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
Authors:Bruner, S.D, Norman, D.P, Verdine, G.L.
Deposit date:2000-01-24
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA.
Nature, 403, 2000
6DRJ
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BU of 6drj by Molmil
Structure of TRPM2 ion channel receptor by single particle electron cryo-microscopy, ADPR/Ca2+ bound state
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel, ...
Authors:Du, J, Lu, W, Huang, Y, Winkler, P, Sun, W.
Deposit date:2018-06-12
Release date:2018-09-19
Last modified:2018-10-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Architecture of the TRPM2 channel and its activation mechanism by ADP-ribose and calcium.
Nature, 562, 2018

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