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2A4D
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BU of 2a4d by Molmil
Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1)
Descriptor: Ubiquitin-conjugating enzyme E2 variant 1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-06-28
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
4QDV
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BU of 4qdv by Molmil
Dcps in complex with covalent ligand
Descriptor: 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, GLYCEROL, PHOSPHATE ION, ...
Authors:Liu, S.
Deposit date:2014-05-14
Release date:2015-05-20
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dcps in complex with covalent ligands targeting Tyrosines
To be Published
3KNS
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BU of 3kns by Molmil
Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II)
Descriptor: ACETIC ACID, Beta-lactamase 2, GLYCEROL, ...
Authors:Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J.
Deposit date:2009-11-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
6UC9
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BU of 6uc9 by Molmil
Guanine riboswitch bound to O6-cyclohexylmethyl guanine
Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Matyjasik, M.M, Batey, R.T.
Deposit date:2019-09-15
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch.
Molecules, 25, 2020
4Z9J
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BU of 4z9j by Molmil
Apo-Tar from E. coli
Descriptor: Methyl-accepting chemotaxis protein II
Authors:Mise, T.
Deposit date:2015-04-10
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of the Ligand-Binding Domain of the Aspartate Receptor Tar from Escherichia coli
Biochemistry, 55, 2016
5VBI
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BU of 5vbi by Molmil
Crystal Structure of the R515W missense variant of human PGM1
Descriptor: GLYCEROL, MAGNESIUM ION, Phosphoglucomutase-1, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2017-03-29
Release date:2018-06-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75000083 Å)
Cite:A Hotspot for Disease-Associated Variants of Human PGM1 Is Associated with Impaired Ligand Binding and Loop Dynamics.
Structure, 26, 2018
4XLD
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BU of 4xld by Molmil
Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ...
Authors:Delfosse, V, Guichou, J.-F.
Deposit date:2015-01-13
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
Descriptor: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
6LCS
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BU of 6lcs by Molmil
Crystal structure of 73MuL9 Fv-clasp fragment in complex with GA-pyridine analogue
Descriptor: (2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid, PHOSPHATE ION, VH-SARAH, ...
Authors:Nakamura, T, Takagi, J, Yamagata, Y, Morioka, H.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular recognition of a single-chain Fv antibody specific for GA-pyridine, an advanced glycation end-product (AGE), elucidated using biophysical techniques and synthetic antigen analogues.
J.Biochem., 170, 2021
6UBU
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BU of 6ubu by Molmil
1.60 A resolution structure of the guanine riboswitch bound to guanine
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), GUANINE, ...
Authors:Matyjasik, M.M, Batey, R.T.
Deposit date:2019-09-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch.
Molecules, 25, 2020
6FU3
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BU of 6fu3 by Molmil
Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
Descriptor: CALCIUM ION, HEME C, Protein CcpR
Authors:Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C.
Deposit date:2018-02-26
Release date:2019-03-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
To Be Published
4EJZ
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BU of 4ejz by Molmil
Structure of MBOgg1 in complex with low affinity DNA ligand
Descriptor: 3-Methyladenine DNA glycosylase, DNA (5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*T*GP*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3')
Authors:Jiang, T, Yu, H.J, Bi, L.J, Zhang, X.E, Yang, M.Z.
Deposit date:2012-04-08
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structures of MBOgg1 in complex with two abasic DNA ligands
J.Struct.Biol., 181, 2013
8FVJ
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BU of 8fvj by Molmil
Dimeric form of HIV-1 Vif in complex with human CBF-beta, ELOB, ELOC, and CUL5
Descriptor: Core-binding factor subunit beta, Cullin-5, Elongin-B, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
Deposit date:2023-01-19
Release date:2023-09-06
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
8FVI
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BU of 8fvi by Molmil
Human APOBEC3H bound to HIV-1 Vif in complex with CBF-beta, ELOB, ELOC, and CUL5
Descriptor: Core-binding factor subunit beta, Cullin 5, DNA dC->dU-editing enzyme APOBEC-3H, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
Deposit date:2023-01-19
Release date:2023-09-06
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
1WRY
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BU of 1wry by Molmil
Solution structure of the SH3 domain-binding glutamic acid-rich-like protein
Descriptor: SH3 domain-binding glutamic acid-rich-like protein
Authors:Inoue, K, Miyamoto, K, Nagashima, T, Hayashi, F, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-10-29
Release date:2005-04-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the SH3 domain-binding glutamic acid-rich-like protein
To be Published
6JP5
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BU of 6jp5 by Molmil
Rabbit Cav1.1-Nifedipine Complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Huang, G, Wu, J, Yan, N.
Deposit date:2019-03-25
Release date:2019-06-12
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
5VG7
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BU of 5vg7 by Molmil
Crystal Structure of the R503Q missense variant of human PGM1
Descriptor: GLYCEROL, MAGNESIUM ION, Phosphoglucomutase-1, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2017-04-10
Release date:2018-06-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95000327 Å)
Cite:A Hotspot for Disease-Associated Variants of Human PGM1 Is Associated with Impaired Ligand Binding and Loop Dynamics.
Structure, 26, 2018
6JP8
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BU of 6jp8 by Molmil
Rabbit Cav1.1-Bay K8644 Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Huang, G, Wu, J, Yan, N.
Deposit date:2019-03-26
Release date:2019-06-12
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
3ECX
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BU of 3ecx by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [30 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-02
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
3E55
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BU of 3e55 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser off
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-08-13
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
3ECL
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BU of 3ecl by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 40 K: Laser on
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-01
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
3EDA
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BU of 3eda by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [150 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-03
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
3LSD
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BU of 3lsd by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9
Descriptor: Galectin-9
Authors:Ruiz, F.M, Romero, A.
Deposit date:2010-02-12
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
8SUV
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BU of 8suv by Molmil
CHIP-TPR in complex with the C-terminus of CHIC2
Descriptor: Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION
Authors:Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C.
Deposit date:2023-05-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP
Biorxiv, 2023
6JPB
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BU of 6jpb by Molmil
Rabbit Cav1.1-Diltiazem Complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Huang, G, Wu, J, Yan, N.
Deposit date:2019-03-26
Release date:2019-06-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019

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