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2ZMI
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BU of 2zmi by Molmil
Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism
Descriptor: (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Nakabayashi, M, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M.
Deposit date:2008-04-19
Release date:2008-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism
J.Med.Chem., 51, 2008
1F5Y
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BU of 1f5y by Molmil
NMR STRUCTURE OF A CONCATEMER OF THE FIRST AND SECOND LIGAND-BINDING MODULES OF THE HUMAN LDL RECEPTOR
Descriptor: CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR
Authors:Kurniawan, N.D, Atkins, A.R, Brereton, I.M, Kroon, P.A, Smith, R.
Deposit date:2000-06-18
Release date:2000-08-30
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:NMR structure of a concatemer of the first and second ligand-binding modules of the human low-density lipoprotein receptor.
Protein Sci., 9, 2000
1MCE
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BU of 1mce by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
1MCN
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BU of 1mcn by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-HIS-L-PRO-NH2
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
5U9T
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BU of 5u9t by Molmil
The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment
Descriptor: ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ...
Authors:Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2016-12-18
Release date:2017-04-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
1MCH
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BU of 1mch by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-B-ALA-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
1MCQ
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BU of 1mcq by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-HIS-D-PRO-NH2
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
4XBM
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BU of 4xbm by Molmil
X-ray crystal structure of Notch ligand Delta-like 1
Descriptor: Delta-like protein 1, alpha-L-fucopyranose
Authors:Kershaw, N.J, Burgess, A.W, Church, N.L, Luo, C.S, Adam, T.E.
Deposit date:2014-12-17
Release date:2015-03-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Notch ligand delta-like1: X-ray crystal structure and binding affinity.
Biochem.J., 468, 2015
1MCB
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BU of 1mcb by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
1MCI
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BU of 1mci by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-PHE-L-HIS-D-PRO-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
1MCS
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BU of 1mcs by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
6J1Z
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BU of 6j1z by Molmil
WWP2 semi-open conformation
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
3OV1
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BU of 3ov1 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: FORMIC ACID, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-09-15
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
1MY4
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BU of 1my4 by Molmil
crystal structure of glutamate receptor ligand-binding core in complex with iodo-willardiine in the Zn crystal form
Descriptor: 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
3DQV
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BU of 3dqv by Molmil
Structural Insights into NEDD8 Activation of Cullin-RING Ligases: Conformational Control of Conjugation
Descriptor: Cullin-5, NEDD8, Rbx1, ...
Authors:Duda, D.M, Borg, L.A, Scott, D.C, Hunt, H.W, Hammel, M, Schulman, B.A.
Deposit date:2008-07-09
Release date:2008-09-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into NEDD8 activation of cullin-RING ligases: conformational control of conjugation.
Cell(Cambridge,Mass.), 134, 2008
1IKJ
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BU of 1ikj by Molmil
1.27 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH IMIDAZOLE
Descriptor: IMIDAZOLE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roberts, S.A, Weichsel, A, Qui, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
Deposit date:2001-05-03
Release date:2001-10-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
1MCC
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BU of 1mcc by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-NH2
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
4NVK
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BU of 4nvk by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
8YND
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BU of 8ynd by Molmil
ATP-grasp peptide ligase from Streptomyces
Descriptor: ATP-grasp peptide ligase
Authors:Xu, M.J, Yan, Y.Q.
Deposit date:2024-03-11
Release date:2025-02-19
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of an ATP-Grasp Peptide-Ligase Producing Diverse Dipeptides Containing Unnatural Amino Acids
Acs Catalysis, 15, 2025
8YNQ
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BU of 8ynq by Molmil
ATP-grasp peptide ligase from Streptomyces
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Xu, M.J, Yan, Y.Q.
Deposit date:2024-03-11
Release date:2025-02-19
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of an ATP-Grasp Peptide-Ligase Producing Diverse Dipeptides Containing Unnatural Amino Acids
Acs Catalysis, 15, 2025
4NVE
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BU of 4nve by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVO
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BU of 4nvo by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVG
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BU of 4nvg by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
1MCL
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BU of 1mcl by Molmil
PRINCIPLES AND PITFALLS in DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), N-ACETYL-D-HIS-L-PRO-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
4NVJ
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BU of 4nvj by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014

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