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6QDV
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BU of 6qdv by Molmil
Human post-catalytic P complex spliceosome
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
Authors:Fica, S.M, Oubridge, C, Wilkinson, M.E, Newman, A.J, Nagai, K.
Deposit date:2019-01-03
Release date:2019-02-20
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation.
Science, 363, 2019
6PUU
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BU of 6puu by Molmil
Human TRPM2 bound to 8-Br-cADPR and calcium
Descriptor: (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
1FRV
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BU of 1frv by Molmil
CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE
Descriptor: FE3-S4 CLUSTER, HYDRATED FE, HYDROGENASE, ...
Authors:Volbeda, A, Frey, M, Fontecilla-Camps, J.C.
Deposit date:1996-03-28
Release date:1996-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the nickel-iron hydrogenase from Desulfovibrio gigas.
Nature, 373, 1995
8J0A
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BU of 8j0a by Molmil
Robust design of effective allosteric activator UbV R4 for Rsp5 E3 ligase using the machine-learning tool ProteinMPNN
Descriptor: SULFATE ION, Ubiquitin variant R4
Authors:Lin, Y.-F, Hsieh, Y.-J, Kao, H.-W, Ko, T.-P, Wu, K.-P.
Deposit date:2023-04-10
Release date:2023-08-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Robust Design of Effective Allosteric Activators for Rsp5 E3 Ligase Using the Machine Learning Tool ProteinMPNN.
Acs Synth Biol, 12, 2023
6Z4R
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BU of 6z4r by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 3-thienylalanine as axial heme ligand
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z4T
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BU of 6z4t by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 2-Amino-3-(thiazol-5-yl)propanoic acid as axial heme ligand
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
1EV2
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BU of 1ev2 by Molmil
CRYSTAL STRUCTURE OF FGF2 IN COMPLEX WITH THE EXTRACELLULAR LIGAND BINDING DOMAIN OF FGF RECEPTOR 2 (FGFR2)
Descriptor: PROTEIN (FIBROBLAST GROWTH FACTOR 2), PROTEIN (FIBROBLAST GROWTH FACTOR RECEPTOR 2), SULFATE ION
Authors:Plotnikov, A.N, Hubbard, S.R, Schlessinger, J, Mohammadi, M.
Deposit date:2000-04-19
Release date:2000-05-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of two FGF-FGFR complexes reveal the determinants of ligand-receptor specificity.
Cell(Cambridge,Mass.), 101, 2000
9DRY
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BU of 9dry by Molmil
CHIP U-box dimer bound to Fab 2F1
Descriptor: 2F1 Fab heavy chain, 2F1 Fab light chain, E3 ubiquitin-protein ligase CHIP
Authors:Unnikrishnan, A, Southworth, D.
Deposit date:2024-09-26
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (7.02 Å)
Cite:Recombinant antibodies inhibit enzymatic activity of the E3 ubiquitin ligase CHIP via multiple mechanisms.
J.Biol.Chem., 301, 2025
3NZ7
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BU of 3nz7 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Descriptor: 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Campbell, N.H, Neidle, S.
Deposit date:2010-07-16
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
1XU1
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BU of 1xu1 by Molmil
The crystal structure of APRIL bound to TACI
Descriptor: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 13B
Authors:Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
Deposit date:2004-10-25
Release date:2004-11-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding
J.Biol.Chem., 280, 2005
7QPP
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BU of 7qpp by Molmil
High resolution structure of human VDR ligand binding domain in complex with calcitriol
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SULFATE ION, Vitamin D3 receptor
Authors:Rochel, N.
Deposit date:2022-01-05
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
6PUO
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BU of 6puo by Molmil
Human TRPM2 in the apo state
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
2HUW
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BU of 2huw by Molmil
X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand
Descriptor: Growth factor receptor-bound protein 2, N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide, PHOSPHATE ION
Authors:Benfield, A.P, Martin, S.F.
Deposit date:2006-07-27
Release date:2006-08-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand Preorganization May Be Accompanied by Entropic Penalties in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 45, 2006
9DNT
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BU of 9dnt by Molmil
Cryo-EM structure of Tom1 (S. cerevisiae)
Descriptor: E3 ubiquitin-protein ligase TOM1
Authors:Warner, K.M, Hunkeler, M, Baek, K, Roy Burman, S.S, Fischer, E.S.
Deposit date:2024-09-18
Release date:2025-05-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural ubiquitin contributes to K48 linkage specificity of the HECT ligase Tom1.
Cell Rep, 44, 2025
1JZL
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BU of 1jzl by Molmil
Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide.
Descriptor: CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
Deposit date:2001-09-16
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal Contributions to Cooperativity.
Biochemistry, 40, 2001
5MVB
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BU of 5mvb by Molmil
Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.
Descriptor: DNA (26-MER), POTASSIUM ION, bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
Authors:Wirmer-Bartoschek, J, Jonker, H.R.A, Bendel, L.E, Gruen, T, Bazzicalupi, C, Messori, L, Gratteri, P, Schwalbe, H.
Deposit date:2017-01-16
Release date:2017-05-31
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
Angew. Chem. Int. Ed. Engl., 56, 2017
5VK4
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BU of 5vk4 by Molmil
Crystal structure of a phosphoribosylformylglycinamidine cyclo-ligase from Neisseria gonorrhoeae bound to AMPPNP and magnesium
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoribosylformylglycinamidine cyclo-ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-20
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of a phosphoribosylformylglycinamidine cyclo-ligase from Neisseria gonorrhoeae bound to AMPPNP and magnesium
To Be Published
8AT1
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BU of 8at1 by Molmil
CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Gouaux, J.E, Stevens, R.C, Lipscomb, W.N.
Deposit date:1989-09-22
Release date:1990-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of aspartate carbamoyltransferase ligated with phosphonoacetamide, malonate, and CTP or ATP at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
1XU2
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BU of 1xu2 by Molmil
The crystal structure of APRIL bound to BCMA
Descriptor: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 17
Authors:Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
Deposit date:2004-10-25
Release date:2004-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding
J.Biol.Chem., 280, 2005
3OMO
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BU of 3omo by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
1VWN
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BU of 1vwn by Molmil
STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 4.8
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
3OMP
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BU of 3omp by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
1VWP
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BU of 1vwp by Molmil
STREPTAVIDIN COMPLEXED WITH CYCLO-AC-[CHPQGPPC]-NH2 MONOMER, PH 2.5
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWJ
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BU of 1vwj by Molmil
STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2, PH 2.5, I222 COMPLEX
Descriptor: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWG
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BU of 1vwg by Molmil
STREPTAVIDIN COMPLEXED WITH THE HEAD-TO-TAIL DISULFIDE-BONDED PEPTIDE DIMER OF CYCLO-AC-[CHPQGPPC]-NH2, PH 2.5
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997

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