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3D68
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BU of 3d68 by Molmil
Crystal structure of a T325I/T329I/H333Y/H335Q mutant of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI-IIYQ)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, Carboxypeptidase B2, ...
Authors:Brondijk, T.H.C, Huizinga, E.G.
Deposit date:2008-05-19
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of TAFI elucidate the inactivation mechanism of activated TAFI: a novel mechanism for enzyme autoregulation
Blood, 112, 2008
3D66
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BU of 3d66 by Molmil
Crystal structure of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ZINC ION
Authors:Brondijk, T.H.C, Huizinga, E.G.
Deposit date:2008-05-19
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of TAFI elucidate the inactivation mechanism of activated TAFI: a novel mechanism for enzyme autoregulation
Blood, 112, 2008
2RLQ
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BU of 2rlq by Molmil
NMR structure of CCP modules 2-3 of complement factor H
Descriptor: Complement factor H
Authors:Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D.
Deposit date:2007-07-29
Release date:2008-02-19
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
2RLP
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BU of 2rlp by Molmil
NMR structure of CCP modules 1-2 of complement factor H
Descriptor: Complement factor H
Authors:Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D.
Deposit date:2007-07-28
Release date:2008-02-19
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
3D67
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BU of 3d67 by Molmil
Crystal structure of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI) in complex with 2-guanidino-ethyl-mercaptosuccinic acid (GEMSA)
Descriptor: (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ...
Authors:Brondijk, T.H.C, Huizinga, E.G.
Deposit date:2008-05-19
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structures of TAFI elucidate the inactivation mechanism of activated TAFI: a novel mechanism for enzyme autoregulation
Blood, 112, 2008
3DGV
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BU of 3dgv by Molmil
Crystal structure of thrombin activatable fibrinolysis inhibitor (TAFI)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Anand, K, Pallares, I, Valnickova, Z, Christensen, T, Schreuder, H, Enghild, J.
Deposit date:2008-06-16
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of thrombin-activable fibrinolysis inhibitor (TAFI) provides the structural basis for its intrinsic activity and the short half-life of TAFIa.
J.Biol.Chem., 283, 2008
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, H-189
Authors:Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
3BZF
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BU of 3bzf by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
Deposit date:2008-01-17
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
3DPN
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BU of 3dpn by Molmil
Crystal Structure of cpaf s499a mutant
Descriptor: Protein CT_858
Authors:Chai, J, Huang, Z.
Deposit date:2008-07-09
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
Descriptor: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
Authors:Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
3GPJ
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BU of 3gpj by Molmil
Crystal structure of the yeast 20S proteasome in complex with syringolin B
Descriptor: N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Huber, R, Kaiser, M.
Deposit date:2009-03-23
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthetic and structural studies on syringolin A and B reveal critical determinants of selectivity and potency of proteasome inhibition
Proc.Natl.Acad.Sci.USA, 106, 2009
6T28
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BU of 6t28 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640)
Descriptor: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
Authors:Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
6T29
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BU of 6t29 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)
Descriptor: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
Authors:Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
6D4A
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BU of 6d4a by Molmil
Cell Surface Receptor with Bound Ligand at 1.75-A Resolution
Descriptor: 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33
Authors:Hermans, S.J, Miles, L.A, Parker, M.W.
Deposit date:2018-04-17
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6CQ6
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BU of 6cq6 by Molmil
K2P2.1(TREK-1) apo structure
Descriptor: CADMIUM ION, DECANE, POTASSIUM ION, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2018-03-14
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
6CQ9
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BU of 6cq9 by Molmil
K2P2.1(TREK-1):ML402 complex
Descriptor: CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2018-03-14
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
6CQ8
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BU of 6cq8 by Molmil
K2P2.1(TREK-1):ML335 complex
Descriptor: CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2018-03-14
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
6D48
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BU of 6d48 by Molmil
Cell Surface Receptor
Descriptor: Myeloid cell surface antigen CD33
Authors:Hermans, S.J, Miles, L.A, Parker, M.W.
Deposit date:2018-04-17
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6D49
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BU of 6d49 by Molmil
Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution
Descriptor: 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33
Authors:Hermans, S.J, Miles, L.A, Parker, M.W.
Deposit date:2018-04-17
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6OU3
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BU of 6ou3 by Molmil
Crystal Structure of the D478S Variant of the Myocilin Olfactomedin Domain
Descriptor: GLYCEROL, Myocilin, SODIUM ION
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU2
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BU of 6ou2 by Molmil
Crystal Structure of the D478N Variant of the Myocilin Olfactomedin Domain
Descriptor: GLYCEROL, Myocilin, SODIUM ION
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU1
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BU of 6ou1 by Molmil
Crystal Structure of the Computationally-derived 21-Variant of the Myocilin Olfactomedin Domain
Descriptor: CALCIUM ION, GLYCEROL, Myocilin, ...
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU0
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BU of 6ou0 by Molmil
Crystal Structure of the D380A/D478S Variant of the Myocilin Olfactomedin Domain
Descriptor: GLYCEROL, Myocilin
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
7FU4
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BU of 7fu4 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-fluoro-4-phenylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Descriptor: (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FU5
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BU of 7fu5 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase
Descriptor: (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, SULFATE ION, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

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