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2UWO
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Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
Descriptor: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, COAGULATION FACTOR X
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
Deposit date:2007-03-22
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
2UWL
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Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
Deposit date:2007-03-22
Release date:2007-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
1BOE
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BU of 1boe by Molmil
STRUCTURE OF THE IGF BINDING DOMAIN OF THE INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN-5 (IGFBP-5): IMPLICATIONS FOR IGF AND IGF-I RECEPTOR INTERACTIONS
Descriptor: PROTEIN (INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN-5 (IGFBP-5))
Authors:Kalus, W, Zweckstetter, M, Renner, C, Sanchez, Y, Georgescu, J, Grol, M, Demuth, D, Schumacherdony, C, Lang, K, Holak, T.H.
Deposit date:1998-07-30
Release date:1998-12-16
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structure of the IGF-binding domain of the insulin-like growth factor-binding protein-5 (IGFBP-5): implications for IGF and IGF-I receptor interactions.
EMBO J., 17, 1998
6Z3M
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BU of 6z3m by Molmil
Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) and Neogenin 1 (NEO1).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 5, Neogenin, ...
Authors:Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (5.501 Å)
Cite:Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
8TN9
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Structural architecture of the acidic region of the B domain of coagulation factor V
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor V
Authors:Mohammed, B.M, Basore, K, Summers, B, Pelc, L.A, Di Cera, E.
Deposit date:2023-08-01
Release date:2023-10-04
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural architecture of the acidic region of the B domain of coagulation factor V.
J.Thromb.Haemost., 22, 2024
8DG6
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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
8D95
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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
4B2R
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Solution structure of CCP modules 10-11 of complement factor H
Descriptor: COMPLEMENT FACTOR H
Authors:Makou, E, Mertens, H.D.T, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N.
Deposit date:2012-07-17
Release date:2012-10-10
Last modified:2019-09-25
Method:SOLUTION NMR
Cite:Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
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
7KXY
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BU of 7kxy by Molmil
Cryo-EM structure of human Factor Va at 4.4 Angstrom resolution
Descriptor: Coagulation factor Va
Authors:Ruben, E.A, Di Cera, E.
Deposit date:2020-12-05
Release date:2021-03-10
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structures of human coagulation factors V and Va.
Blood, 137, 2021
5B4O
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BU of 5b4o by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14
Descriptor: 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ...
Authors:Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N.
Deposit date:2016-04-07
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
2AXM
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HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
Authors:Digabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A.
Deposit date:1997-10-20
Release date:1998-04-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
5MIU
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G307E variant of Murine Apoptosis Inducing Factor (oxidized state)
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Sorrentino, L, Cossu, F, Milani, M, Aliverti, A, Mastrangelo, E.
Deposit date:2016-11-29
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural bases of the altered catalytic properties of a pathogenic variant of apoptosis inducing factor.
Biochem. Biophys. Res. Commun., 490, 2017
5MIV
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BU of 5miv by Molmil
G307E variant of murine Apoptosis Inducing Factor in complex with NAD+
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Sorrentino, L, Cossu, F, Aliverti, A, Milani, M, Mastrangelo, E.
Deposit date:2016-11-29
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural bases of the altered catalytic properties of a pathogenic variant of apoptosis inducing factor.
Biochem. Biophys. Res. Commun., 490, 2017
4B2S
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BU of 4b2s by Molmil
Solution structure of CCP modules 11-12 of complement factor H
Descriptor: COMPLEMENT FACTOR H
Authors:Makou, E, Mertens, H.D, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N.
Deposit date:2012-07-17
Release date:2012-10-17
Last modified:2013-05-08
Method:SOLUTION NMR
Cite:Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
1FFM
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BU of 1ffm by Molmil
THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII (FUCOSYLATED AT SER-60), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: PROTEIN (Blood Coagulation Factor VII), alpha-L-fucopyranose
Authors:Kao, Y.-H, Lee, G.F, Wang, Y, Starovasnik, M.A, Kelley, R.F, Spellman, M.W, Lerner, L.
Deposit date:1999-02-19
Release date:1999-06-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The effect of O-fucosylation on the first EGF-like domain from human blood coagulation factor VII.
Biochemistry, 38, 1999
4D9R
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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
1ZDT
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BU of 1zdt by Molmil
The Crystal Structure of Human Steroidogenic Factor-1
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, Steroidogenic factor 1
Authors:Wang, W, Zhang, C, Marimuthu, A, Krupka, H.I, Tabrizizad, M, Shelloe, R, Mehra, U, Eng, K, Nguyen, H, Settachatgul, C, Powell, B, Milburn, M.V, West, B.L.
Deposit date:2005-04-14
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structures of human steroidogenic factor-1 and liver receptor homologue-1
Proc.Natl.Acad.Sci.USA, 102, 2005
3MQI
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BU of 3mqi by Molmil
Human early B-cell factor 1 (EBF1) IPT/TIG domain
Descriptor: ETHYL MERCURY ION, Transcription factor COE1, trimethylamine oxide
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-28
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
3HMS
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Crystal Crystal structure of the N-terminal fragment (28-126) of the human hepatocyte growth factor/scatter factor, orthorhombic crystal form
Descriptor: Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for agonism and antagonism of hepatocyte growth factor.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HMR
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Crystal structure of the N-terminal fragment (31-127) of the mouse hepatocyte growth factor/scatter factor
Descriptor: Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for agonism and antagonism of hepatocyte growth factor.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HN4
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Crystal structure of the NK2 fragment (28-289) of human hepatocyte growth factor/scatter factor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor, ...
Authors:Tolbert, W.D.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for agonism and antagonism of hepatocyte growth factor.
Proc.Natl.Acad.Sci.USA, 107, 2010
3N50
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Human Early B-cell factor 3 (EBF3) IPT/TIG and HLHLH domains
Descriptor: Transcription factor COE3
Authors:Lehtio, L, Siponen, M.I, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-05-24
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
3HMT
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Crystal structure of the N-terminal fragment (28-126) of the human hepatocyte growth factor/scatter factor, trigonal crystal form
Descriptor: Hepatocyte growth factor
Authors:Tolbert, W.D.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for agonism and antagonism of hepatocyte growth factor.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MUJ
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Early B-cell factor 3 (EBF3) IPT/TIG and dimerization helices
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcription factor COE3
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-05-03
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010

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