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4B9D
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BU of 4b9d by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ...
Authors:Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
1PCI
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BU of 1pci by Molmil
PROCARICAIN
Descriptor: PROCARICAIN
Authors:Groves, M.R, Taylor, M.A.J, Scott, M, Cummings, N.J, Pickersgill, R.W, Jenkins, J.A.
Deposit date:1996-06-28
Release date:1997-04-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The prosequence of procaricain forms an alpha-helical domain that prevents access to the substrate-binding cleft.
Structure, 4, 1996
1NMS
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BU of 1nms by Molmil
Caspase-3 tethered to irreversible inhibitor
Descriptor: 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3
Authors:Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T.
Deposit date:2003-01-10
Release date:2003-03-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
2VXP
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BU of 2vxp by Molmil
The fourth FAS1 domain structure of human Bigh3
Descriptor: TRANSFORMING GROWTH FACTOR-BETA-INDUCED PROTEIN IG-H3
Authors:Yoo, J.-H, Cho, H.-S.
Deposit date:2008-07-08
Release date:2009-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structural Analysis of the Fas1 Domain 4 of Big-H3 for Relationship with Corneal Dystrophy
To be Published
1NMQ
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BU of 1nmq by Molmil
Extendend Tethering: In Situ Assembly of Inhibitors
Descriptor: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
Authors:Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
Deposit date:2003-01-10
Release date:2003-03-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1OIG
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BU of 1oig by Molmil
The solution structure of the DPY module from the Dumpy protein
Descriptor: Dumpy, isoform Y
Authors:Wilkin, M.B, Becker, M.N, Mulvey, D, Phan, I, Chao, A, Cooper, K, Chung, H.J, Campbell, I.D, Baron, M, MacIntyre, R.
Deposit date:2003-06-18
Release date:2003-06-26
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Drosophila Dumpy is a Gigantic Extracellular Protein Required to Maintain Tension at Epidermal-Cuticle Attachment Sites
Curr.Biol., 10, 2000
2V5T
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BU of 2v5t by Molmil
Crystal structure of NCAM2 Ig2-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NEURAL CELL ADHESION MOLECULE 2, ...
Authors:Kulahin, N, Rasmussen, K.K, Kristensen, O, Berezin, V, Bock, E, Walmod, P.S, Gajhede, M.
Deposit date:2007-07-10
Release date:2008-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Model and Trans-Interaction of the Entire Ectodomain of the Olfactory Cell Adhesion Molecule.
Structure, 19, 2011
1QX3
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BU of 1qx3 by Molmil
Conformational restrictions in the active site of unliganded human caspase-3
Descriptor: Apopain
Authors:Ni, C.-Z, Li, C, Wu, J.C, Spada, A.P, Ely, K.R.
Deposit date:2003-09-04
Release date:2003-10-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational restrictions in the active site of unliganded human caspase-3
J.MOL.RECOG., 16, 2003
1NUK
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BU of 1nuk by Molmil
CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE EPHB2 RECEPTOR TYROSINE KINASE
Descriptor: PROTEIN (TYROSINE-PROTEIN KINASE RECEPTOR EPH)
Authors:Himanen, J.-P, Henkemeyer, M, Nikolov, D.B.
Deposit date:1998-10-13
Release date:1999-10-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand-binding domain of the receptor tyrosine kinase EphB2.
Nature, 396, 1998
1R1I
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BU of 1r1i by Molmil
STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ZINC ION, ...
Authors:Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E.
Deposit date:2003-09-24
Release date:2004-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
1R1H
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BU of 1r1h by Molmil
STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, Neprilysin, ...
Authors:Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E.
Deposit date:2003-09-24
Release date:2004-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
1R1J
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BU of 1r1j by Molmil
STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE, Neprilysin, ...
Authors:Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E.
Deposit date:2003-09-24
Release date:2004-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
2VHS
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BU of 2vhs by Molmil
Cathsilicatein, a chimera
Descriptor: CATHSILICATEIN, SULFATE ION
Authors:Fairhead, M, Kowatz, T, McMahon, S.A, Carter, L.G, Oke, M, Johnson, K.A, Liu, H, Naismith, J.H, Wal, C.F.V.D.
Deposit date:2007-11-24
Release date:2008-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Silica Condensing Activities of Silicatein Alpha-Cathepsin L Chimeras.
Chem. Commun., 2008
1OSN
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BU of 1osn by Molmil
Crystal structure of Varicella zoster virus thymidine kinase in complex with BVDU-MP and ADP
Descriptor: (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Thymidine kinase
Authors:Bird, L.E, Ren, J, Wright, A, Leslie, K.D, Degreve, B, Balzarini, J, Stammers, D.K.
Deposit date:2003-03-20
Release date:2003-06-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of varicella zoster virus thymidine kinase
J.Biol.Chem., 278, 2003
3IB3
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BU of 3ib3 by Molmil
Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus
Descriptor: CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ...
Authors:Domagalski, M.J, Chruszcz, M, Osinski, T, Skarina, T, Onopriyenko, O, Cymborowski, M, Shumilin, I.A, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-07-15
Release date:2009-08-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus
To be Published
3III
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BU of 3iii by Molmil
1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus
Descriptor: CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ...
Authors:Osinski, T, Chruszcz, M, Domagalski, M.J, Cymborowski, M, Shumilin, I.A, Skarina, T, Onopriyenko, O, Zimmerman, M.D, Savchenko, A, Edwards, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-01
Release date:2009-08-18
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus
To be Published
3FKD
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BU of 3fkd by Molmil
The crystal structure of L-threonine-O-3-phosphate decarboxylase from Porphyromonas gingivalis
Descriptor: L-threonine-O-3-phosphate decarboxylase
Authors:Zhang, Z, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-12-16
Release date:2009-02-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of L-threonine-O-3-phosphate decarboxylase from Porphyromonas gingivalis
To be Published
2MY1
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BU of 2my1 by Molmil
Solution structure of Bud31p
Descriptor: Pre-mRNA-splicing factor BUD31, ZINC ION
Authors:van Roon, A.M, Yang, J, Mathieu, D, Bermel, W, Nagai, K, Neuhaus, D.
Deposit date:2015-01-19
Release date:2015-03-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:(113) Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p.
Angew.Chem.Int.Ed.Engl., 54, 2015
3F58
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BU of 3f58 by Molmil
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120 (MN ISOLATE); H315S MUTATION
Descriptor: PROTEIN (CYCLIC PEPTIDE (GP120)), PROTEIN (IMMUNOGLOBULIN GAMMA I (58.2))
Authors:Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A.
Deposit date:1998-10-23
Release date:1999-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs.
Structure Fold.Des., 7, 1999
3ITN
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BU of 3itn by Molmil
Crystal structure of Pseudo-activated Procaspase-3
Descriptor: ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3
Authors:Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
Biochem.J., 424, 2009
2N9T
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BU of 2n9t by Molmil
NMR solution structure of ProTx-II
Descriptor: Beta/omega-theraphotoxin-Tp2a
Authors:Schroeder, C.I.
Deposit date:2015-12-08
Release date:2016-07-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Interaction of Tarantula Venom Peptide ProTx-II with Lipid Membranes Is a Prerequisite for Its Inhibition of Human Voltage-gated Sodium Channel NaV1.7.
J.Biol.Chem., 291, 2016
3J8A
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BU of 3j8a by Molmil
Structure of the F-actin-tropomyosin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:von der Ecken, J, Mueller, M, Lehman, W, Manstein, J.M, Penczek, A.P, Raunser, S.
Deposit date:2014-10-08
Release date:2014-12-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the F-actin--tropomyosin complex.
Nature, 519, 2015
2PNN
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BU of 2pnn by Molmil
Crystal Structure of the Ankyrin Repeat Domain of Trpv1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1
Authors:Jin, X, Gaudet, R.
Deposit date:2007-04-24
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
2PO8
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BU of 2po8 by Molmil
The structure of a two-disulfide intermediate of MCoTI-II
Descriptor: MCoTI-II
Authors:Cemazar, M, Joshi, A, Mark, A.E, Craik, D.J, Daly, N.L.
Deposit date:2007-04-26
Release date:2008-05-06
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:The structure of a two-disulfide intermediate of MCoTI-II
To be Published
3DOG
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BU of 3dog by Molmil
Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1
Descriptor: (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Echalier, A, Endicott, J.
Deposit date:2008-07-04
Release date:2008-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine.
Mol.Cancer Ther., 7, 2008

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