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1KQW
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BU of 1kqw by Molmil
Crystal structure of holo-CRBP from zebrafish
Descriptor: Cellular retinol-binding protein, RETINOL
Authors:Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G.
Deposit date:2002-01-08
Release date:2002-08-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
7F9W
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BU of 7f9w by Molmil
CD25 in complex with Fab
Descriptor: Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab
Authors:Liu, C.
Deposit date:2021-07-05
Release date:2022-01-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity.
Sci Rep, 11, 2021
4URV
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BU of 4urv by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ...
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4CG9
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BU of 4cg9 by Molmil
Human choline kinase a1 in complex with compound 12
Descriptor: CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
Authors:Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A.
Deposit date:2013-11-21
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
1KWO
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BU of 1kwo by Molmil
SCALLOP MYOSIN S1-ATPgammaS-p-PDM IN THE ACTIN-DETACHED CONFORMATION
Descriptor: 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID, CALCIUM ION, MAGNESIUM ION, ...
Authors:Himmel, D.M, Gourinath, S, Reshetnikova, L, Shen, Y, Szent-Gyorgyi, G, Cohen, C.
Deposit date:2002-01-30
Release date:2002-11-20
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystallographic findings on the internally uncoupled and near-rigor states of myosin: Further insights into the mechanics of the motor
Proc.Natl.Acad.Sci.USA, 99, 2002
4CGA
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BU of 4cga by Molmil
Human choline kinase a1 in complex with compound 5
Descriptor: CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine
Authors:Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A.
Deposit date:2013-11-21
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
1KVV
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BU of 1kvv by Molmil
Solution Structure Of Protein SRP19 Of The Archaeoglobus fulgidus Signal Recognition Particle, Minimized Average Structure
Descriptor: SRP19
Authors:Pakhomova, O.N, Deep, S, Huang, Q, Zwieb, C, Hinck, A.P.
Deposit date:2002-01-27
Release date:2002-03-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of protein SRP19 of Archaeoglobus fulgidus signal recognition particle.
J.Mol.Biol., 317, 2002
6LAE
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BU of 6lae by Molmil
Crystal structure of the DNA-binding domain of human XPA in complex with DNA
Descriptor: DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), DNA repair protein complementing XP-A cells, ...
Authors:Lian, F.M, Yang, X, Jiang, Y.L, Yang, F, Li, C, Yang, W, Qian, C.
Deposit date:2019-11-12
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA.
Int.J.Biol.Macromol., 148, 2020
4V0S
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BU of 4v0s by Molmil
Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
Descriptor: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2014-09-18
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4US1
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BU of 4us1 by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
1KVD
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BU of 1kvd by Molmil
KILLER TOXIN FROM HALOTOLERANT YEAST
Descriptor: SMK TOXIN, SULFATE ION
Authors:Kashiwagi, T, Kunishima, N, Suzuki, C, Tsuchiya, F, Nikkuni, S, Arata, Y, Morikawa, K.
Deposit date:1996-10-04
Release date:1997-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The novel acidophilic structure of the killer toxin from halotolerant yeast demonstrates remarkable folding similarity with a fungal killer toxin.
Structure, 5, 1997
1KBS
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BU of 1kbs by Molmil
SOLUTION STRUCTURE OF CARDIOTOXIN IV, NMR, 1 STRUCTURE
Descriptor: CTX IV
Authors:Jeng, J.Y, Kumar, T.K.S, Jayaraman, G, Yu, C.
Deposit date:1996-07-22
Release date:1997-07-23
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Comparison of the hemolytic activity and solution structures of two snake venom cardiotoxin analogues which only differ in their N-terminal amino acid.
Biochemistry, 36, 1997
1KBT
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BU of 1kbt by Molmil
SOLUTION STRUCTURE OF CARDIOTOXIN IV, NMR, 12 STRUCTURES
Descriptor: CTX IV
Authors:Jeng, J.Y, Kumar, T.K.S, Jayaraman, G, Yu, C.
Deposit date:1996-07-22
Release date:1997-07-23
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Comparison of the hemolytic activity and solution structures of two snake venom cardiotoxin analogues which only differ in their N-terminal amino acid.
Biochemistry, 36, 1997
4URW
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BU of 4urw by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
6T7K
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BU of 6t7k by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
Descriptor: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
Authors:Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
To Be Published
1L2O
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BU of 1l2o by Molmil
SCALLOP MYOSIN S1-ADP-p-PDM IN THE ACTIN-DETACHED CONFORMATION
Descriptor: 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Himmel, M, Gourinath, S, Reshetnikova, L, Shen, Y, Szent-Gyorgyi, G, Cohen, C.
Deposit date:2002-02-22
Release date:2002-10-30
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor.
Proc.Natl.Acad.Sci.USA, 99, 2002
1LNL
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BU of 1lnl by Molmil
Structure of deoxygenated hemocyanin from Rapana thomasiana
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, hemocyanin
Authors:Perbandt, M, Guthoehrlein, E.W, Rypniewski, W, Idakieva, K, Stoeva, S, Voelter, W, Genov, N, Betzel, C.
Deposit date:2002-05-03
Release date:2003-06-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of a functional unit from the wall of a gastropod hemocyanin offers a possible mechanism for cooperativity
Biochemistry, 42, 2003
4URY
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BU of 4ury by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
6EY0
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BU of 6ey0 by Molmil
N-terminal part (residues 30-212) of PorM with the llama nanobody nb01
Descriptor: T9SS component cytoplasmic membrane protein PorM, llama nanobody nb01
Authors:Leone, P, Roche, J, Cambillau, C, Roussel, A.
Deposit date:2017-11-10
Release date:2018-02-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
8A5T
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BU of 8a5t by Molmil
Capsid structure of the L-A helper virus from native viral communities
Descriptor: Major capsid protein
Authors:Schmidt, L, Tueting, C, Stubbs, M.T, Kastritis, P.L.
Deposit date:2022-06-16
Release date:2023-12-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Delineating organizational principles of the endogenous L-A virus by cryo-EM and computational analysis of native cell extracts.
Commun Biol, 7, 2024
6TG6
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BU of 6tg6 by Molmil
Toprim domain of RNase M5
Descriptor: Ribonuclease M5
Authors:Oerum, S, Catala, M, Tisne, C.
Deposit date:2019-11-15
Release date:2020-09-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs.
Mol.Cell, 80, 2020
4CWP
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BU of 4cwp by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWR
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BU of 4cwr by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWS
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BU of 4cws by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
1LNX
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BU of 1lnx by Molmil
Crystal structure of the P.aerophilum SmAP1 heptamer in a new crystal form (C2221)
Descriptor: ACETIC ACID, GLYCEROL, URIDINE, ...
Authors:Mura, C, Kozhukhovsky, A, Eisenberg, D.
Deposit date:2002-05-04
Release date:2003-03-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The oligomerization and ligand-binding properties of Sm-like archaeal proteins (SmAPs)
Protein Sci., 12, 2003

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