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3CLN
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BU of 3cln by Molmil
STRUCTURE OF CALMODULIN REFINED AT 2.2 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN
Authors:Babu, Y.S, Bugg, C.E, Cook, W.J.
Deposit date:1988-05-11
Release date:1988-07-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of calmodulin refined at 2.2 A resolution.
J.Mol.Biol., 204, 1988
1BIO
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BU of 1bio by Molmil
HUMAN COMPLEMENT FACTOR D IN COMPLEX WITH ISATOIC ANHYDRIDE INHIBITOR
Descriptor: COMPLEMENT FACTOR D, GLYCEROL, ISATOIC ANHYDRIDE
Authors:Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
Deposit date:1998-06-18
Release date:1999-06-22
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
1ULB
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BU of 1ulb by Molmil
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Descriptor: GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
Deposit date:1991-11-05
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
1ULA
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BU of 1ula by Molmil
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Descriptor: PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
Deposit date:1991-11-05
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
1DFP
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BU of 1dfp by Molmil
FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE
Descriptor: DIISOPROPYL PHOSPHONATE, FACTOR D
Authors:Cole, L.B, Chu, N, Kilpatrick, J.M, Volanakis, J.E, Narayana, S.V.L, Babu, Y.S.
Deposit date:1997-02-18
Release date:1998-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of diisopropyl fluorophosphate-inhibited factor D.
Acta Crystallogr.,Sect.D, 53, 1997
1HFD
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BU of 1hfd by Molmil
HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
Descriptor: COMPLEMENT FACTOR D
Authors:Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
Deposit date:1998-06-18
Release date:1999-06-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-23
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
1NNB
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BU of 1nnb by Molmil
THREE-DIMENSIONAL STRUCTURE OF INFLUENZA A N9 NEURAMINIDASE AND ITS COMPLEX WITH THE INHIBITOR 2-DEOXY 2,3-DEHYDRO-N-ACETYL NEURAMINIC ACID
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, NEURAMINIDASE
Authors:Bossart-Whitaker, P, Carson, M, Babu, Y.S, Smith, C.D, Laver, W.G, Air, G.M.
Deposit date:1993-03-08
Release date:1994-04-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid.
J.Mol.Biol., 232, 1993
2SAS
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BU of 2sas by Molmil
STRUCTURE OF A SARCOPLASMIC CALCIUM-BINDING PROTEIN FROM AMPHIOXUS REFINED AT 2.4 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, SARCOPLASMIC CALCIUM-BINDING PROTEIN
Authors:Cook, W.J, Babu, Y.S, Cox, J.A.
Deposit date:1993-07-30
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a sarcoplasmic calcium-binding protein from amphioxus refined at 2.4 A resolution.
J.Mol.Biol., 229, 1993
1DIC
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BU of 1dic by Molmil
STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D
Descriptor: 3,4-DICHLOROISOCOUMARIN, FACTOR D, OXYGEN ATOM
Authors:Cole, L.B, Kilpatrick, J.M, Chu, N, Babu, Y.S.
Deposit date:1998-07-08
Release date:1999-07-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of 3,4-dichloroisocoumarin-inhibited factor D.
Acta Crystallogr.,Sect.D, 54, 1998
1NNA
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BU of 1nna by Molmil
THREE-DIMENSIONAL STRUCTURE OF INFLUENZA A N9 NEURAMINIDASE AND ITS COMPLEX WITH THE INHIBITOR 2-DEOXY 2,3-DEHYDRO-N-ACETYL NEURAMINIC ACID
Descriptor: CALCIUM ION, NEURAMINIDASE
Authors:Bossart-Whitaker, P, Carson, M, Babu, Y.S, Smith, C.D, Laver, W.G, Air, G.M.
Deposit date:1993-03-08
Release date:1994-04-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid.
J.Mol.Biol., 232, 1993
7N7X
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BU of 7n7x by Molmil
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
Descriptor: Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain
Authors:Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W.
Deposit date:2021-06-11
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
Descriptor: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
Authors:Raman, K, Yarlagadda, B.
Deposit date:2007-02-13
Release date:2008-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
1CLL
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BU of 1cll by Molmil
CALMODULIN STRUCTURE REFINED AT 1.7 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN, ETHANOL
Authors:Chattopadhyaya, R, Quiocho, F.A.
Deposit date:1992-09-29
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Calmodulin structure refined at 1.7 A resolution.
J.Mol.Biol., 228, 1992
1DSU
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BU of 1dsu by Molmil
HUMAN FACTOR D, COMPLEMENT ACTIVATING ENZYME
Descriptor: FACTOR D
Authors:Narayana, S.V.L, Volanakis, J.E, Delucas, L.J.
Deposit date:1995-09-15
Release date:1996-08-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human factor D. A complement system protein at 2.0 A resolution.
J.Mol.Biol., 235, 1994
1PWY
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BU of 1pwy by Molmil
CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH ACYCLOVIR
Descriptor: 9-HYROXYETHOXYMETHYLGUANINE, Purine nucleoside phosphorylase, SULFATE ION
Authors:Dos Santos, D.M, Canduri, F, Pereira, J.H, Vinicius Bertacine Dias, M, Silva, R.G, Mendes, M.A, Palma, M.S, Basso, L.A, De Azevedo, W.F, Santos, D.S.
Deposit date:2003-07-02
Release date:2004-03-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human purine nucleoside phosphorylase complexed with acyclovir.
Biochem.Biophys.Res.Commun., 308, 2003
1RCT
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BU of 1rct by Molmil
Crystal structure of Human purine nucleoside phosphorylase complexed with INOSINE
Descriptor: INOSINE, Purine nucleoside phosphorylase, SULFATE ION
Authors:Canduri, F, dos Santos, D.M, Silva, R.G, Mendes, M.A, Palma, M.S, de Azevedo Jr, W.F, Basso, L.A, Santos, D.S.
Deposit date:2003-11-04
Release date:2004-01-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of human purine nucleoside phosphorylase complexed with inosine and ddI
Biochem.Biophys.Res.Commun., 313, 2004
1DST
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BU of 1dst by Molmil
MUTANT OF FACTOR D WITH ENHANCED CATALYTIC ACTIVITY
Descriptor: FACTOR D
Authors:Narayana, S.V.L, Volanakis, J.E.
Deposit date:1995-09-13
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a complement factor D mutant expressing enhanced catalytic activity.
J.Biol.Chem., 270, 1995
1FDP
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BU of 1fdp by Molmil
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
Descriptor: PROENZYME OF COMPLEMENT FACTOR D
Authors:Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L.
Deposit date:1998-12-03
Release date:1999-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D.
Embo J., 18, 1999
1JDZ
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BU of 1jdz by Molmil
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION
Descriptor: 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, FORMYCIN B, SULFATE ION
Authors:Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E.
Deposit date:2001-06-15
Release date:2001-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
1JE0
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BU of 1je0 by Molmil
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE AND TRIS MOLECULE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, PHOSPHATE ION
Authors:Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E.
Deposit date:2001-06-15
Release date:2001-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
1JP7
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BU of 1jp7 by Molmil
Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase
Descriptor: 5'-deoxy-5'-methylthioadenosine phosphorylase, SULFATE ION
Authors:Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E.
Deposit date:2001-08-01
Release date:2001-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
1JDU
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BU of 1jdu by Molmil
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE
Descriptor: 5'-METHYLTHIOADENOSINE PHOSPHORYLASE
Authors:Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E.
Deposit date:2001-06-15
Release date:2001-10-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001

 

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