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2CTI
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BU of 2cti by Molmil
DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING
Descriptor: TRYPSIN INHIBITOR
Authors:Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T.
Deposit date:1990-08-28
Release date:1992-01-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing.
J.Mol.Biol., 210, 1989
1CTI
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BU of 1cti by Molmil
DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING
Descriptor: TRYPSIN INHIBITOR
Authors:Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T.
Deposit date:1990-08-28
Release date:1992-01-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing.
J.Mol.Biol., 210, 1989
2ABZ
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BU of 2abz by Molmil
Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A
Descriptor: Carboxypeptidase A1, Metallocarboxypeptidase inhibitor, ZINC ION
Authors:Arolas, J.L, Popowicz, G.M, Bronsoms, S, Aviles, F.X, Huber, R, Holak, T.A, Ventura, S.
Deposit date:2005-07-18
Release date:2006-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond
J.Mol.Biol., 352, 2005
5J7G
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BU of 5j7g by Molmil
Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Descriptor: 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A.
Deposit date:2016-04-06
Release date:2017-05-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
1I16
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BU of 1i16 by Molmil
STRUCTURE OF INTERLEUKIN 16: IMPLICATIONS FOR FUNCTION, NMR, 20 STRUCTURES
Descriptor: INTERLEUKIN 16
Authors:Muehlhahn, P, Zweckstetter, M, Georgescu, J, Ciosto, C, Renner, C, Lanzendoerfer, M, Lang, K, Ambrosius, D, Baier, M, Kurth, R, Holak, T.A.
Deposit date:1998-05-20
Release date:1999-05-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of interleukin 16 resembles a PDZ domain with an occluded peptide binding site.
Nat.Struct.Biol., 5, 1998
1HJ0
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BU of 1hj0 by Molmil
Thymosin beta9
Descriptor: THYMOSIN BETA9
Authors:Stoll, R, Voelter, W, Holak, T.A.
Deposit date:2001-01-05
Release date:2002-01-04
Last modified:2024-04-24
Method:SOLUTION NMR
Cite:Conformation of Thymosin Beta9 in Water/Fluoroalcohol Solution Determined by NMR Spectroscopy
Biopolymers, 41, 1997
5J7F
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BU of 5j7f by Molmil
Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Descriptor: 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A.
Deposit date:2016-04-06
Release date:2017-05-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
5C3T
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BU of 5c3t by Molmil
PD-1 binding domain from human PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Zak, K.M, Dubin, G, Holak, T.A.
Deposit date:2015-06-17
Release date:2015-11-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
8P1O
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BU of 8p1o by Molmil
Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives
Descriptor: (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ...
Authors:Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A.
Deposit date:2023-05-12
Release date:2024-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
4PYU
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BU of 4pyu by Molmil
The conserved ubiquitin-like protein hub1 plays a critical role in splicing in human cells
Descriptor: U4/U6.U5 tri-snRNP-associated protein 1, Ubiquitin-like protein 5
Authors:Ammon, T, Mishra, S.K, Kowalska, K, Popowicz, G.M, Holak, T.A, Jentsch, S.
Deposit date:2014-03-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells.
J Mol Cell Biol, 6, 2014
5J8O
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BU of 5j8o by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
Deposit date:2016-04-08
Release date:2016-04-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
5J89
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BU of 5j89 by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
Deposit date:2016-04-07
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
1ZFI
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BU of 1zfi by Molmil
Solution structure of the leech carboxypeptidase inhibitor
Descriptor: Metallocarboxypeptidase inhibitor
Authors:Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S.
Deposit date:2005-04-20
Release date:2005-09-13
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
1ZFL
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BU of 1zfl by Molmil
Solution structure of III-A, the major intermediate in the oxidative folding of leech carboxypeptidase inhibitor
Descriptor: Metallocarboxypeptidase inhibitor
Authors:Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S.
Deposit date:2005-04-20
Release date:2005-09-13
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
6YCR
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BU of 6ycr by Molmil
Structure of human PD-L1 in complex with inhibitor
Descriptor: FFIVIRDRVFR(CCS)G(NH2), Programmed cell death 1 ligand 1
Authors:Magiera-Mularz, K, Grudnik, P, Kuska, K, Holak, T.A, Dubin, G.
Deposit date:2020-03-18
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Macrocyclic Peptide Inhibitor of PD-1/PD-L1 Immune Checkpoint
Adv. Ther., 2020
2Z5S
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BU of 2z5s by Molmil
Molecular basis for the inhibition of p53 by Mdmx
Descriptor: Cellular tumor antigen p53, Mdm4 protein
Authors:Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A.
Deposit date:2007-07-17
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
2Z5T
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BU of 2z5t by Molmil
Molecular basis for the inhibition of p53 by Mdmx
Descriptor: Cellular tumor antigen p53, Mdm4 protein
Authors:Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A.
Deposit date:2007-07-17
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
2DSQ
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BU of 2dsq by Molmil
Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins
Descriptor: Insulin-like growth factor IB, Insulin-like growth factor-binding protein 1, Insulin-like growth factor-binding protein 4
Authors:Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A.
Deposit date:2006-07-05
Release date:2006-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2DSP
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BU of 2dsp by Molmil
Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins
Descriptor: Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4
Authors:Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A.
Deposit date:2006-07-05
Release date:2006-08-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2DSR
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BU of 2dsr by Molmil
Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins
Descriptor: Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4
Authors:Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A.
Deposit date:2006-07-05
Release date:2006-08-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3G03
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BU of 3g03 by Molmil
Structure of human MDM2 in complex with high affinity peptide
Descriptor: E3 ubiquitin-protein ligase Mdm2, High affinity synthetic peptide
Authors:Czarna, A.L, Popowicz, G.M, Holak, T.A.
Deposit date:2009-01-27
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx.
Cell Cycle, 8, 2009
3JTZ
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BU of 3jtz by Molmil
Structure of the arm-type binding domain of HPI integrase
Descriptor: Integrase, SODIUM ION
Authors:Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A.
Deposit date:2009-09-14
Release date:2009-10-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
3JU0
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BU of 3ju0 by Molmil
Structure of the arm-type binding domain of HAI7 integrase
Descriptor: Phage integrase
Authors:Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A.
Deposit date:2009-09-14
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
2AS9
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BU of 2as9 by Molmil
Functional and structural characterization of Spl proteases from staphylococcus aureus
Descriptor: ZINC ION, serine protease
Authors:Popowicz, G.M, Dubin, G, Stec-Niemczyk, J, Czarny, A, Dubin, A, Potempa, J, Holak, T.A.
Deposit date:2005-08-23
Release date:2005-09-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional and Structural Characterization of Spl Proteases from Staphylococcus aureus
J.Mol.Biol., 358, 2006
3PLV
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BU of 3plv by Molmil
Structure of Hub-1 protein in complex with Snu66 peptide (HINDII)
Descriptor: 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1
Authors:Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S.
Deposit date:2010-11-15
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing.
Nature, 474, 2011

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