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1L3H
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BU of 1l3h by Molmil
NMR structure of P41icf, a potent inhibitor of human cathepsin L
Descriptor: MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT (P41icf)
Authors:Chiva, C, Barthe, P, Codina, A, Giralt, E.
Deposit date:2002-02-27
Release date:2003-03-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Synthesis and NMR structure of P41ICF, a potent inhibitor of human cathepsin L
J.Am.Chem.Soc., 125, 2003
4UMG
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BU of 4umg by Molmil
Crystal structure of the Lin-41 filamin domain
Descriptor: PROTEIN LIN-41
Authors:Tocchini, C, Keusch, J.J, Miller, S.B, Finger, S, Gut, H, Stadler, M, Ciosk, R.
Deposit date:2014-05-16
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Trim-Nhl Protein Lin-41 Controls the Onset of Developmental Plasticity in Caenorhabditis Elegans.
Plos Genet., 10, 2014
1YKR
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BU of 1ykr by Molmil
Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor
Descriptor: 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2
Authors:Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B.
Deposit date:2005-01-18
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
5J8S
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BU of 5j8s by Molmil
Iron-free state of Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
Deposit date:2016-04-08
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5J9V
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BU of 5j9v by Molmil
Ten minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
Deposit date:2016-04-11
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5JAC
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BU of 5jac by Molmil
Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
Deposit date:2016-04-12
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
1PYE
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BU of 1pye by Molmil
Crystal structure of CDK2 with inhibitor
Descriptor: Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE
Authors:Zhang, F, Hamdouchi, C.
Deposit date:2003-07-08
Release date:2004-07-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines.
MOL.CANCER THER., 3, 2004
5J93
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BU of 5j93 by Molmil
Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
Deposit date:2016-04-08
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5J8W
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BU of 5j8w by Molmil
One minute iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
Deposit date:2016-04-08
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
4P18
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BU of 4p18 by Molmil
Crystal Structure of frog M ferritin mutant D80K
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P.
Deposit date:2014-02-25
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Loop electrostatics modulates the intersubunit interactions in ferritin.
Acs Chem.Biol., 9, 2014
3VKX
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BU of 3vkx by Molmil
Structure of PCNA
Descriptor: 3,5,3'TRIIODOTHYRONINE, CHLORIDE ION, Proliferating cell nuclear antigen, ...
Authors:Hashimoto, H, Hishiki, A, Shimizu, T, Sato, M, Punchihewa, C, Connelly, M, Actis, M, Waddell, B, Pagala, V, Fujii, N.
Deposit date:2011-11-26
Release date:2012-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication
J.Biol.Chem., 287, 2012
3MYW
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BU of 3myw by Molmil
The Bowman-Birk type inhibitor from mung bean in ternary complex with porcine trypsin
Descriptor: Bowman-Birk type trypsin inhibitor, CALCIUM ION, Trypsin
Authors:Engh, R.A, Bode, W, Huber, R, Lin, G, Chi, C.
Deposit date:2010-05-11
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 0.25-nm X-ray structure of the Bowman-Birk-type inhibitor from mung bean in ternary complex with porcine trypsin.
Eur.J.Biochem., 212, 1993
2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
Descriptor: L-mr12
Authors:Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
Deposit date:2007-05-31
Release date:2008-04-15
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
Descriptor: COAT PROTEIN
Authors:Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
Deposit date:2011-02-01
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
1SW8
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BU of 1sw8 by Molmil
Solution structure of the N-terminal domain of Human N60D calmodulin refined with paramagnetism based strategy
Descriptor: CALCIUM ION, Calmodulin
Authors:Bertini, I, Del Bianco, C, Gelis, I, Katsaros, N, Luchinat, C, Parigi, G, Peana, M, Provenzani, A, Zoroddu, M.A, Structural Proteomics in Europe (SPINE)
Deposit date:2004-03-30
Release date:2004-04-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Experimentally exploring the conformational space sampled by domain reorientation in calmodulin
Proc.Natl.Acad.Sci.USA, 101, 2004
1SBW
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BU of 1sbw by Molmil
CRYSTAL STRUCTURE OF MUNG BEAN INHIBITOR LYSINE ACTIVE FRAGMENT COMPLEX WITH BOVINE BETA-TRYPSIN AT 1.8A RESOLUTION
Descriptor: CALCIUM ION, PROTEIN (BETA-TRYPSIN), PROTEIN (MUNG BEAN INHIBITOR LYSIN ACTIVE FRAGMENT), ...
Authors:Huang, Q, Zhu, Y, Chi, C, Tang, Y.
Deposit date:1999-04-29
Release date:1999-05-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of mung bean inhibitor lysine active fragment complex with bovine beta-trypsin at 1.8A resolution.
J.Biomol.Struct.Dyn., 16, 1999
4GUY
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BU of 4guy by Molmil
Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ...
Authors:Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M.
Deposit date:2012-08-30
Release date:2012-09-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
1S05
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BU of 1s05 by Molmil
NMR-validated structural model for oxidized R.palustris cytochrome c556
Descriptor: Cytochrome c-556, HEME C
Authors:Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R.
Deposit date:2003-12-30
Release date:2004-01-20
Last modified:2021-03-03
Method:SOLUTION NMR
Cite:NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
1G9I
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BU of 1g9i by Molmil
CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE
Descriptor: BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Zhu, G, Huang, Q, Zhu, Y, Li, Y, Chi, C, Tang, Y.
Deposit date:2000-11-24
Release date:2000-12-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray study on an artificial mung bean inhibitor complex with bovine beta-trypsin in neat cyclohexane.
Biochim.Biophys.Acta, 1546, 2001
7C0N
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BU of 7c0n by Molmil
Crystal structure of a self-assembling galactosylated peptide homodimer
Descriptor: SULFATE ION, Self-assembling galactosylated tyrosine-rich peptide, beta-D-galactopyranose
Authors:He, C, Wu, S, Chi, C, Zhang, W, Ma, M, Lai, L, Dong, S.
Deposit date:2020-05-01
Release date:2020-10-07
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Glycopeptide Self-Assembly Modulated by Glycan Stereochemistry through Glycan-Aromatic Interactions.
J.Am.Chem.Soc., 142, 2020
8XZ2
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BU of 8xz2 by Molmil
The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria
Descriptor: D-alanyl-D-alanine dipeptidase
Authors:Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T.
Deposit date:2024-01-20
Release date:2024-05-22
Method:SOLUTION NMR
Cite:Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria.
Protein Sci., 33, 2024
1CLF
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BU of 1clf by Molmil
CLOSTRIDIUM PASTEURIANUM FERREDOXIN
Descriptor: FERREDOXIN, IRON/SULFUR CLUSTER
Authors:Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H.
Deposit date:1995-06-21
Release date:1996-01-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum.
Eur.J.Biochem., 232, 1995
1CKU
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BU of 1cku by Molmil
AB INITIO SOLUTION AND REFINEMENT OF TWO HIGH POTENTIAL IRON PROTEIN STRUCTURES AT ATOMIC RESOLUTION
Descriptor: IRON/SULFUR CLUSTER, PROTEIN (HIPIP)
Authors:Parisini, E, Capozzi, F, Lubini, P, Lamzin, V, Luchinat, C, Sheldrick, G.M.
Deposit date:1999-04-24
Release date:1999-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution.
Acta Crystallogr.,Sect.D, 55, 1999
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
Descriptor: Nanobody, RNA2 polyprotein
Authors:Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
Deposit date:2015-11-22
Release date:2016-01-20
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
2M41
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BU of 2m41 by Molmil
Solution Structure of the AXH domain of Ataxin-1 in complex with ligand peptide from Capicua
Descriptor: Ataxin-1, Protein capicua homolog
Authors:de Chiara, C, Kelly, G, Pastore, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein-Protein Interactions as a Strategy towards Protein-Specific Drug Design: The Example of Ataxin-1.
Plos One, 8, 2013

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