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5MEO
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BU of 5meo by Molmil
Human Leukocyte Antigen presenting ILGKFLHRL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
Deposit date:2016-11-16
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
2QQU
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BU of 2qqu by Molmil
Crystal structure of a cell-wall invertase (D239A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
7KSC
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BU of 7ksc by Molmil
Crystal structure of Pun g 1.0101
Descriptor: Non-specific lipid-transfer protein, SULFATE ION
Authors:Pote, S, O'Malley, A, Gawlicka-Chruszcz, A, Tuppo, L, Ciardiello, M.A, Chruszcz, M.
Deposit date:2020-11-21
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Act c 10.0101 and Pun g 1.0101-Allergens from the Non-Specific Lipid Transfer Protein Family.
Molecules, 26, 2021
3TED
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BU of 3ted by Molmil
Crystal structure of the Chd1 DNA-binding domain in complex with a DNA duplex
Descriptor: 5'-D(*CP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*G)-3', Chromo domain-containing protein 1
Authors:Sharma, A, Jenkins, K.R, Heroux, A, Bowman, G.D.
Deposit date:2011-08-12
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA-binding domain of Chd1 in complex with a DNA duplex
J.Biol.Chem., 2011
8UOO
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BU of 8uoo by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum
Descriptor: Asparaginase, CHLORIDE ION, GLYCEROL
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-20
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
8UP7
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BU of 8up7 by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A)
Descriptor: Asparaginase, CHLORIDE ION
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-21
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
8W02
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BU of 8w02 by Molmil
Q108K:K40L:T51V:T53S:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.H, Borhan, B.
Deposit date:2024-02-13
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 19, 2024
3TGK
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BU of 3tgk by Molmil
TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
Descriptor: CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ...
Authors:Pasternak, A, White, A, Jeffery, C.J, Medina, N, Cahoon, M, Ringe, D, Hedstrom, L.
Deposit date:1998-07-19
Release date:2001-07-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
131D
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BU of 131d by Molmil
THE LOW-TEMPERATURE CRYSTAL STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA REVEALS BINDING OF A SPERMINE MOLECULE IN THE MINOR GROOVE
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SODIUM ION, SPERMINE
Authors:Bancroft, D, Williams, L.D, Rich, A, Egli, M.
Deposit date:1993-06-18
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:The low-temperature crystal structure of the pure-spermine form of Z-DNA reveals binding of a spermine molecule in the minor groove.
Biochemistry, 33, 1994
2QQW
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BU of 2qqw by Molmil
Crystal structure of a cell-wall invertase (D23A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
8V6K
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BU of 8v6k by Molmil
Apo-state cryo-EM structure of human TRPV3 in cNW30 nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-12-01
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
1N00
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BU of 1n00 by Molmil
Annexin Gh1 from cotton
Descriptor: SULFATE ION, annexin Gh1
Authors:Hofmann, A, Delmer, D.P, Wlodawer, A.
Deposit date:2002-10-10
Release date:2003-06-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of annexin Gh1 from Gossypium hirsutum reveals an unusual S3 cluster.
Eur.J.Biochem., 270, 2003
8V6N
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BU of 8v6n by Molmil
Open-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, ARACHIDONIC ACID, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-12-01
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
8UP8
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BU of 8up8 by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F, complex with L-Asp)
Descriptor: ASPARTIC ACID, Asparaginase, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-21
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
5MNF
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BU of 5mnf by Molmil
Cationic trypsin in its apo form (deuterated sample at 295 K)
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
1WDD
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BU of 1wdd by Molmil
Crystal Structure of Activated Rice Rubisco Complexed with 2-Carboxyarabinitol-1,5-bisphosphate
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Mizohata, E, Matsumura, H, Ueno, T, Ishida, H, Inoue, T, Makino, A, Mae, T, Kai, Y.
Deposit date:2004-05-13
Release date:2004-11-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of rice Rubisco and implications for activation induced by positive effectors NADPH and 6-phosphogluconate
J.Mol.Biol., 422, 2012
5GSS
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BU of 5gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
8UOW
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BU of 8uow by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21A)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Asparaginase
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-20
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
7KXB
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BU of 7kxb by Molmil
Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329
Descriptor: BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ...
Authors:Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-12-03
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7AHR
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BU of 7ahr by Molmil
Enzyme of biosynthetic pathway
Descriptor: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL
Authors:Archna, A, Breithaupt, C, Stubbs, M.T.
Deposit date:2020-09-25
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
8UTO
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BU of 8uto by Molmil
KIF1A[1-393] AMP-PNP bound two-heads-bound state in complex with a microtubule - class T2L1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ...
Authors:Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H.
Deposit date:2023-10-31
Release date:2024-06-12
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
3SV2
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BU of 3sv2 by Molmil
Human Thrombin In Complex With UBTHR105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-07-12
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
8UTN
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BU of 8utn by Molmil
KIF1A[1-393] AMP-PNP bound two-heads-bound state in complex with a microtubule (class T23L1)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ...
Authors:Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H.
Deposit date:2023-10-31
Release date:2024-06-12
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
8VZ0
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BU of 8vz0 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400
Descriptor: (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
Authors:Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2024-02-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
5MPK
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BU of 5mpk by Molmil
Crystal structure of CREBBP bromodomain complexed with DK19
Descriptor: CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2016-12-16
Release date:2018-01-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018

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