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6Z85
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BU of 6z85 by Molmil
inhibitory human GTP cyclohydrolase I - GFRP complex
Descriptor: 7,8-DIHYDROBIOPTERIN, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H, Vonck, J.
Deposit date:2020-06-02
Release date:2020-12-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ACC
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BU of 7acc by Molmil
human GTP cyclohydrolase I feedback regulatory protein (GFRP)
Descriptor: GTP cyclohydrolase 1 feedback regulatory protein, POTASSIUM ION
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-09-10
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ALC
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BU of 7alc by Molmil
human GCH-GFRP stimulatory complex
Descriptor: GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ALA
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BU of 7ala by Molmil
human GCH-GFRP inhibitory complex
Descriptor: 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7AL9
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BU of 7al9 by Molmil
human GTP cyclohydrolase I feedback regulatory protein (GFRP) in complex with phenylalanine
Descriptor: GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, POTASSIUM ION
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ALB
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BU of 7alb by Molmil
human GCH-GFRP stimulatory complex 7-deaza-GTP bound
Descriptor: 7-deaza-GTP, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
1A5I
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BU of 1a5i by Molmil
CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Stubbs, M.T, Bode, W.
Deposit date:1998-02-17
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Catalytic domain structure of vampire bat plasminogen activator: a molecular paradigm for proteolysis without activation cleavage.
Biochemistry, 36, 1997
1A5H
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BU of 1a5h by Molmil
CATALYTIC DOMAIN OF HUMAN TWO-CHAIN TISSUE PLASMINOGEN ACTIVATOR COMPLEX OF A BIS-BENZAMIDINE
Descriptor: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, TISSUE PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Bode, W, Stubbs, M.T.
Deposit date:1998-02-17
Release date:1999-04-20
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mapping of the active site specificity determinants of human tissue-type plasminogen activator. Implications for the design of low molecular weight substrates and inhibitors.
J.Biol.Chem., 272, 1997
1BDA
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BU of 1bda by Molmil
CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide, SINGLE CHAIN TISSUE TYPE PLASMINOGEN ACTIVATOR
Authors:Bode, W, Renatus, M, Engh, R.A.
Deposit date:1998-05-07
Release date:1999-05-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
EMBO J., 16, 1997
7ALQ
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BU of 7alq by Molmil
human GCH-GFRP inhibitory complex 7-deaza-GTP bound
Descriptor: 7,8-DIHYDROBIOPTERIN, 7-deaza-GTP, GTP cyclohydrolase 1, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-07
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Biophysical and structural investigation of the regulation of human GTP cyclohydrolase I by its regulatory protein GFRP.
J.Struct.Biol., 213, 2021
5LAW
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BU of 5law by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
Descriptor: 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAZ
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BU of 5laz by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Descriptor: 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAV
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BU of 5lav by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
Descriptor: (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAY
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BU of 5lay by Molmil
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
Descriptor: (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX7
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BU of 6tx7 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX5
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BU of 6tx5 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
1TBR
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BU of 1tbr by Molmil
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-03
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
1TBQ
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BU of 1tbq by Molmil
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-02
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
6TX9
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BU of 6tx9 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX8
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BU of 6tx8 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH IMIDAZOLE
Descriptor: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
Descriptor: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TXX
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BU of 6txx by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2
Descriptor: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-14
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
1LDT
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BU of 1ldt by Molmil
COMPLEX OF LEECH-DERIVED TRYPTASE INHIBITOR WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TRYPSIN, TRYPTASE INHIBITOR
Authors:Stubbs, M.T.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of recombinant leech-derived tryptase inhibitor in complex with trypsin. Implications for the structure of human mast cell tryptase and its inhibition.
J.Biol.Chem., 272, 1997
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
Descriptor: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-26
Release date:2000-05-03
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999

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