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4ZGK
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BU of 4zgk by Molmil
Structure of Mdm2 with low molecular weight inhibitor.
Descriptor: (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2
Authors:Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2015-04-23
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
4ZQK
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BU of 4zqk by Molmil
Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1.
Descriptor: Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION
Authors:Zak, K.M, Dubin, G, Holak, T.A.
Deposit date:2015-05-10
Release date:2015-11-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
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
1DNY
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BU of 1dny by Molmil
SOLUTION STRUCTURE OF PCP, A PROTOTYPE FOR THE PEPTIDYL CARRIER DOMAINS OF MODULAR PEPTIDE SYNTHETASES
Descriptor: NON-RIBOSOMAL PEPTIDE SYNTHETASE PEPTIDYL CARRIER PROTEIN
Authors:Weber, T, Baumgartner, R, Renner, C, Marahiel, M.A, Holak, T.A.
Deposit date:1999-12-17
Release date:2000-05-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of PCP, a prototype for the peptidyl carrier domains of modular peptide synthetases.
Structure Fold.Des., 8, 2000
1DTV
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BU of 1dtv by Molmil
NMR STRUCTURE OF THE LEECH CARBOXYPEPTIDASE INHIBITOR (LCI)
Descriptor: CARBOXYPEPTIDASE INHIBITOR
Authors:Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X.
Deposit date:2000-01-13
Release date:2000-07-19
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
1DTD
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BU of 1dtd by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2)
Descriptor: CARBOXYPEPTIDASE A2, GLUTAMIC ACID, METALLOCARBOXYPEPTIDASE INHIBITOR, ...
Authors:Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X.
Deposit date:2000-01-12
Release date:2000-07-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
1H59
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BU of 1h59 by Molmil
Complex of IGFBP-5 with IGF-I
Descriptor: INSULIN-LIKE GROWTH FACTOR BINDING PROTEIN 5, INSULIN-LIKE GROWTH FACTOR IA
Authors:Zeslawski, W, Beisel, H.G, Kamionka, M, Kalus, W, Engh, R.A, Huber, R, Holak, T.A.
Deposit date:2001-05-21
Release date:2002-05-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Interaction of Insulin-Like Growth Factor-I with the N-Terminal Domain of Igfbp-5
Embo J., 20, 2001
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
1HJD
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BU of 1hjd by Molmil
Melanoma inhibitory activity (MIA) protein
Descriptor: HUMAN MELANOMA INHIBITORY ACTIVITY PROTEIN
Authors:Stoll, R, Voelter, W, Bosserhoff, A.K, Holak, T.A.
Deposit date:2001-01-11
Release date:2002-01-29
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:The Extracellular Human Melanoma Inhibitory Activity (Mia) Protein Adopts an SH3 Domain-Like Fold.
Embo J., 20, 2001
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
1NMF
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BU of 1nmf by Molmil
MAJOR COLD-SHOCK PROTEIN, NMR, 20 STRUCTURES
Descriptor: MAJOR COLD-SHOCK PROTEIN
Authors:Schnuchel, A, Holak, T.A.
Deposit date:1996-02-05
Release date:1996-07-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure in solution of the major cold-shock protein from Bacillus subtilis.
Nature, 364, 1993
1NPS
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BU of 1nps by Molmil
CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF PROTEIN S
Descriptor: CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S
Authors:Wenk, M, Baumgartner, R, Mayer, E.M, Huber, R, Holak, T.A, Jaenicke, R.
Deposit date:1999-02-01
Release date:2000-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The domains of protein S from Myxococcus xanthus: structure, stability and interactions.
J.Mol.Biol., 286, 1999
1NMG
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BU of 1nmg by Molmil
MAJOR COLD-SHOCK PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: MAJOR COLD-SHOCK PROTEIN
Authors:Schnuchel, A, Holak, T.A.
Deposit date:1996-02-05
Release date:1996-07-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure in solution of the major cold-shock protein from Bacillus subtilis.
Nature, 364, 1993
1OXD
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BU of 1oxd by Molmil
Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
Descriptor: cyan fluorescent protein cfp
Authors:Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N.
Deposit date:2003-04-02
Release date:2003-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
1OXE
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BU of 1oxe by Molmil
Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
Descriptor: cyan fluorescent protein cfp
Authors:Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N.
Deposit date:2003-04-02
Release date:2003-12-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
1OH1
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BU of 1oh1 by Molmil
Solution structure of staphostatin A form Staphylococcus aureus confirms the discovery of a novel class of cysteine proteinase inhibitors.
Descriptor: STAPHOSTATIN A
Authors:Dubin, G, Popowicz, G, Krajewski, M, Stec, J, Bochtler, M, Potempa, J, Dubin, A, Holak, T.A.
Deposit date:2003-05-21
Release date:2003-11-20
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:A Novel Class of Cysteine Protease Inhibitors: Solution Structure of Staphostatin a from Staphylococcus Aureus
Biochemistry, 42, 2003
1OXF
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BU of 1oxf by Molmil
Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
Descriptor: cyan fluorescent protein cfp
Authors:Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N.
Deposit date:2003-04-02
Release date:2003-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
7BEA
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BU of 7bea by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
Descriptor: 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1
Authors:Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A.
Deposit date:2020-12-22
Release date:2021-06-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists.
Acs Med.Chem.Lett., 12, 2021
8ALX
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BU of 8alx by Molmil
Structure of human PD-L1 in complex with inhibitor
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ...
Authors:Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K.
Deposit date:2022-08-01
Release date:2023-08-16
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies.
Mol Cancer, 22, 2023
9EO0
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BU of 9eo0 by Molmil
Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1
Descriptor: Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide
Authors:Plewka, J, Hec, A, Sitar, T, Holak, T.
Deposit date:2024-03-14
Release date:2024-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
6Y91
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BU of 6y91 by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH
Descriptor: Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
7OUN
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BU of 7oun by Molmil
Structure of human PD-L1 in complex with macrocyclic inhibitor
Descriptor: Programmed cell death 1 ligand 1, macrocyclic peptide
Authors:Zyla, E, Dubin, G.
Deposit date:2021-06-12
Release date:2021-09-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis.
Molecules, 26, 2021
1BIP
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BU of 1bip by Molmil
BIFUNCTIONAL PROTEINASE INHIBITOR TRYPSIN/A-AMYLASE FROM SEEDS OF RAGI (ELEUSINE CORACANA GAERTNERI)
Descriptor: ALPHA-AMYLASE/TRYPSIN INHIBITOR
Authors:Strobl, S, Muehlhahn, P, Holak, T.
Deposit date:1995-03-31
Release date:1995-07-10
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Determination of the three-dimensional structure of the bifunctional alpha-amylase/trypsin inhibitor from ragi seeds by NMR spectroscopy.
Biochemistry, 34, 1995
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:2024-11-06
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
8AEU
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BU of 8aeu by Molmil
Structure of hMDM2 in complex with Nutlin-3a-aa
Descriptor: 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2
Authors:Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T.
Deposit date:2022-07-13
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group.
Chembiochem, 24, 2023

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