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1AV7
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BU of 1av7 by Molmil
SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-29
Release date:1998-04-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1R0R
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BU of 1r0r by Molmil
1.1 Angstrom Resolution Structure of the Complex Between the Protein Inhibitor, OMTKY3, and the Serine Protease, Subtilisin Carlsberg
Descriptor: CALCIUM ION, Ovomucoid, subtilisin carlsberg
Authors:Horn, J.R, Ramaswamy, S, Murphy, K.P.
Deposit date:2003-09-22
Release date:2003-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure and energetics of protein-protein interactions: the role of conformational heterogeneity in OMTKY3 binding to serine proteases
J.Mol.Biol., 331, 2003
4ODD
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BU of 4odd by Molmil
Crystal structure of a dog lipocalin allergen
Descriptor: LIPOCALIN ALLERGEN
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2014-01-10
Release date:2014-06-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural aspects of dog allergies: The crystal structure of a dog dander allergen Can f 4.
Mol.Immunol., 61, 2014
4P27
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BU of 4p27 by Molmil
Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Venom allergen-like (VAL) 4 protein
Authors:Asojo, O.A.
Deposit date:2014-03-02
Release date:2014-08-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs.
Acta Crystallogr.,Sect.D, 70, 2014
4ZYI
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BU of 4zyi by Molmil
Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with cpd2
Descriptor: (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
1AF4
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BU of 1af4 by Molmil
CRYSTAL STRUCTURE OF SUBTILISIN CARLSBERG IN ANHYDROUS DIOXANE
Descriptor: 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, SUBTILISIN CARLSBERG
Authors:Schmitke, J.L, Stern, L.J, Klibanov, A.M.
Deposit date:1997-03-21
Release date:1997-06-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of subtilisin Carlsberg in anhydrous dioxane and its comparison with those in water and acetonitrile.
Proc.Natl.Acad.Sci.USA, 94, 1997
1PP4
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BU of 1pp4 by Molmil
The crystal structure of rhamnogalacturonan acetylesterase in space group P3121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Rhamnogalacturonan acetylesterase
Authors:Molgaard, A, Larsen, S.
Deposit date:2003-06-16
Release date:2004-03-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal packing in two pH-dependent crystal forms of rhamnogalacturonan acetylesterase.
Acta Crystallogr.,Sect.D, 60, 2004
1SCN
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BU of 1scn by Molmil
INACTIVATION OF SUBTILISIN CARLSBERG BY N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOL HYDROXYLAMINE: FORMATION OF COVALENT ENZYME-INHIBITOR LINKAGE IN THE FORM OF A CARBAMATE DERIVATIVE
Descriptor: CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide, SODIUM ION, ...
Authors:Steinmetz, A.C.U, Demuth, H.-U, Ringe, D.
Deposit date:1994-03-02
Release date:1994-08-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inactivation of subtilisin Carlsberg by N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-O-benzolhydroxyl- amine: formation of a covalent enzyme-inhibitor linkage in the form of a carbamate derivative.
Biochemistry, 33, 1994
3EC2
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BU of 3ec2 by Molmil
Crystal structure of the DnaC helicase loader
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION
Authors:Mott, M.L, Erzberger, J.P, Coons, M.M, Berger, J.M.
Deposit date:2008-08-28
Release date:2008-11-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural synergy and molecular crosstalk between bacterial helicase loaders and replication initiators.
Cell(Cambridge,Mass.), 135, 2008
1OYV
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BU of 1oyv by Molmil
Crystal structure of tomato inhibitor-II in a ternary complex with subtilisin Carlsberg
Descriptor: CALCIUM ION, Subtilisin Carlsberg, Wound-induced proteinase inhibitor-II
Authors:Barrette-Ng, I.H, Ng, K.K, Cherney, M.M, Pearce, G, Ryan, C.A, James, M.N.
Deposit date:2003-04-07
Release date:2003-07-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibition revealed by a 1:2 complex of the two-headed tomato inhibitor-II and subtilisin Carlsberg
J.Biol.Chem., 278, 2003
1AVT
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BU of 1avt by Molmil
SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-19
Release date:1998-03-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
8SI4
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BU of 8si4 by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in open state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI7
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BU of 8si7 by Molmil
Cryo-EM structure of TRPM7 in GDN detergent in complex with inhibitor VER155008 in closed state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SIA
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BU of 8sia by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor NS8593 in closed state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI3
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BU of 8si3 by Molmil
Cryo-EM structure of TRPM7 in GDN detergent in apo state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI8
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BU of 8si8 by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
5KSB
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BU of 5ksb by Molmil
T15-DQ8.5-glia-gamma1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8.5-glia-gamma1 peptide, ...
Authors:Petersen, J, Rossjohn, J, Reid, H.H.
Deposit date:2016-07-08
Release date:2016-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
5KS9
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BU of 5ks9 by Molmil
Bel502-DQ8-glia-alpha1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel502 TCR alpha TRAV20*01, Bel502 TCR beta TRBV9*01, ...
Authors:Petersen, J, Rossjohn, J, Reid, H.H.
Deposit date:2016-07-08
Release date:2016-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
3BVG
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BU of 3bvg by Molmil
Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
Descriptor: Enterotoxin type C-3, ZINC ION
Authors:Cho, S, Eric, J.S.
Deposit date:2008-01-07
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assessing energetic contributions to binding from a disordered region in a protein-protein interaction
Biochemistry, 49, 2010
5J13
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BU of 5j13 by Molmil
Structural basis for TSLP antagonism by the therapeutic antibody Tezepelumab (MEDI9929 / AMG-157)
Descriptor: SULFATE ION, Thymic stromal lymphopoietin, anti-TSLP Fab-fragment, ...
Authors:Verstraete, K, Savvides, S.N.
Deposit date:2016-03-28
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure and antagonism of the receptor complex mediated by human TSLP in allergy and asthma.
Nat Commun, 8, 2017
5J11
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BU of 5j11 by Molmil
Structure of human TSLP in complex with TSLPR and IL-7Ralpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor-like factor 2, Interleukin-7 receptor subunit alpha, ...
Authors:Verstraete, K, Savvides, S.N.
Deposit date:2016-03-28
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure and antagonism of the receptor complex mediated by human TSLP in allergy and asthma.
Nat Commun, 8, 2017
5KSA
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BU of 5ksa by Molmil
Bel602-DQ8.5-glia-gamma1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel602 alpha TRAV20*01, Bel602 beta TRBV9*01, ...
Authors:Petersen, J, Rossjohn, J, Reid, H.H.
Deposit date:2016-07-08
Release date:2016-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
1BK1
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BU of 1bk1 by Molmil
ENDO-1,4-BETA-XYLANASE C
Descriptor: ENDO-1,4-B-XYLANASE C
Authors:Fushinobu, S, Ito, K, Konno, M, Wakagi, T, Matsuzawa, H.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and mutational analyses of an extremely acidophilic and acid-stable xylanase: biased distribution of acidic residues and importance of Asp37 for catalysis at low pH.
Protein Eng., 11, 1998
3J1A
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BU of 3j1a by Molmil
HK97-like fold fitted into 3D reconstruction of bacteriophage CW02
Descriptor: capsid protein
Authors:Shen, P.S, Domek, M.J, Sanz-Garcia, E, Makaju, A, Taylor, R, Culumber, M, Breakwell, D.P, Prince, J.T, Belnap, D.M.
Deposit date:2012-01-31
Release date:2012-05-30
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (16 Å)
Cite:Sequence and Structural Characterization of Great Salt Lake Bacteriophage CW02, a Member of the T7-Like Supergroup.
J.Virol., 86, 2012
6X8S
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BU of 6x8s by Molmil
Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein NAND peptide
Descriptor: 1,2-ETHANEDIOL, 3D11 Fab heavy chain, 3D11 Fab light chain, ...
Authors:Thai, E, Julien, J.P.
Deposit date:2020-06-01
Release date:2020-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural ordering of the Plasmodium berghei circumsporozoite protein repeats by inhibitory antibody 3D11.
Elife, 9, 2020

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