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9L6K
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BU of 9l6k by Molmil
Crystal structure of nucleotide-free human kinesin-1 motor domain (G234V mutant)
Descriptor: Kinesin-1 heavy chain
Authors:Makino, T, Miyazono, K, Tanokura, M, Tomishige, M.
Deposit date:2024-12-24
Release date:2025-04-23
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tension-induced suppression of allosteric conformational changes coordinates kinesin-1 stepping.
J.Cell Biol., 224, 2025
4EXP
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BU of 4exp by Molmil
Structure of mouse Interleukin-34 in complex with mouse FMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-34, Macrophage colony-stimulating factor 1 receptor
Authors:Liu, H, Leo, C, Chen, X, Wong, B.R, Williams, L.T, Lin, H, He, X.
Deposit date:2012-04-30
Release date:2012-05-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The mechanism of shared but distinct CSF-1R signaling by the non-homologous cytokines IL-34 and CSF-1.
Biochim.Biophys.Acta, 1824, 2012
4Y87
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BU of 4y87 by Molmil
Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one)
Descriptor: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
2MXA
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BU of 2mxa by Molmil
Solution structure of the NDH-1 complex subunit CupS from Thermosynechococcus elongatus
Descriptor: NDH-1 complex sensory subunit CupS
Authors:Korste, A, Wulfhorst, H, Ikegami, T, Nowaczyk, M.M, Stoll, R.
Deposit date:2014-12-17
Release date:2015-06-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the NDH-1 complex subunit CupS from Thermosynechococcus elongatus.
Biochim.Biophys.Acta, 1847, 2015
2N5L
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BU of 2n5l by Molmil
Regnase-1 C-terminal domain
Descriptor: Ribonuclease ZC3H12A
Authors:Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F.
Deposit date:2015-07-18
Release date:2016-03-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
9CGD
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BU of 9cgd by Molmil
Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
4Y76
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BU of 4y76 by Molmil
Factor Xa complex with GTC000401
Descriptor: CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
9CFQ
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BU of 9cfq by Molmil
Human DJ-1, no mixing, pink beam time-resolved serial crystallography, CrystFEL processed
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-27
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CFY
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BU of 9cfy by Molmil
Human DJ-1, 15 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, T, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-27
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CGG
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BU of 9cgg by Molmil
Human DJ-1, 30 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CG0
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BU of 9cg0 by Molmil
Human DJ-1, 30 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CEI
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BU of 9cei by Molmil
Human DJ-1, no mixing, pink beam time-resolved serial crystallography
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-26
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CGE
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BU of 9cge by Molmil
Human DJ-1, 15 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CFO
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BU of 9cfo by Molmil
Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-27
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9D50
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BU of 9d50 by Molmil
Structure of PAK1 in complex with compound 24
Descriptor: 3-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]azetidine-3-carboxamide, Serine/threonine-protein kinase PAK 1
Authors:Fontano, E, Suto, R.K, Olland, A.M.
Deposit date:2024-08-13
Release date:2025-04-02
Last modified:2025-07-16
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 127, 2025
1TQJ
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BU of 1tqj by Molmil
Crystal structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 angstrom resolution
Descriptor: Ribulose-phosphate 3-epimerase
Authors:Wise, E.L, Akana, J, Gerlt, J.A, Rayment, I.
Deposit date:2004-06-17
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
3U7B
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BU of 3u7b by Molmil
A new crystal structure of a Fusarium oxysporum GH10 xylanase reveals the presence of an extended loop on top of the catalytic cleft
Descriptor: 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D.
Deposit date:2011-10-13
Release date:2012-07-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The structure of a GH10 xylanase from Fusarium oxysporum reveals the presence of an extended loop on top of the catalytic cleft.
Acta Crystallogr.,Sect.D, 68, 2012
9CPH
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BU of 9cph by Molmil
Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation
Descriptor: Bcl-2 homologous antagonist/killer, Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic antibody, ...
Authors:Uchikawa, E, Myasnikov, A, Dey, R, Moldoveanu, T.
Deposit date:2024-07-18
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis of BAK sequestration by MCL-1 in apoptosis.
Mol.Cell, 85, 2025
4EU2
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BU of 4eu2 by Molmil
Crystal structure of 20s proteasome with novel inhibitor K-7174
Descriptor: 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ...
Authors:Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y.
Deposit date:2012-04-25
Release date:2013-05-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding.
Plos One, 8, 2013
1TOZ
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BU of 1toz by Molmil
NMR structure of the human NOTCH-1 ligand binding region
Descriptor: Neurogenic locus notch homolog protein 1
Authors:Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K.
Deposit date:2004-06-15
Release date:2004-10-12
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004
4END
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BU of 4end by Molmil
Crystal structure of anti-HIV actinohivin in complex with alpha-1,2-mannobiose (P 2 21 21 form)
Descriptor: ACETONITRILE, Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A.
Deposit date:2012-04-13
Release date:2013-07-17
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Peculiarity in crystal packing of anti-HIV lectin actinohivin in complex with alpha (1-2)mannobiose.
Acta Crystallogr.,Sect.D, 69, 2013
9CF8
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BU of 9cf8 by Molmil
Cryo-EM structure of human kidney V-ATPase state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Renin receptor, Ribonuclease kappa, ...
Authors:Zhang, Z, Lyu, M.
Deposit date:2024-06-27
Release date:2025-08-06
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM structure of human kidney V-ATPase state 1
To Be Published
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
Descriptor: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
1U57
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BU of 1u57 by Molmil
NMR structure of the (345-392)Gag sequence from HIV-1
Descriptor: Gag polyprotein
Authors:Morellet, N, Druillennec, S, Lenoir, C, Bouaziz, S, Roques, B.P.
Deposit date:2004-07-27
Release date:2005-02-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Helical structure determined by NMR of the HIV-1 (345-392)Gag sequence, surrounding p2: Implications for particle assembly and RNA packaging
Protein Sci., 14, 2005
1TS5
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BU of 1ts5 by Molmil
I140T MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1
Authors:Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1997-10-10
Release date:1998-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity.
Biochemistry, 37, 1998

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