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PDB: 307 results

9BRU
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BU of 9bru by Molmil
Intact V-ATPase State 1 in synaptophysin knock-out isolated synaptic vesicles
Descriptor: Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-11
Release date:2024-06-19
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
9BRT
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BU of 9brt by Molmil
Intact V-ATPase State 1 and synaptophysin complex in mouse brain isolated synaptic vesicles
Descriptor: Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-11
Release date:2024-06-19
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
9BRA
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BU of 9bra by Molmil
Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles
Descriptor: Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-11
Release date:2024-06-19
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
9BRS
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BU of 9brs by Molmil
Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles
Descriptor: Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-11
Release date:2024-06-19
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
1IA8
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BU of 1ia8 by Molmil
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor: CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
Descriptor: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
Deposit date:2013-09-17
Release date:2014-05-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
2HKO
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BU of 2hko by Molmil
Crystal structure of LSD1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
Authors:Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
Deposit date:2006-07-05
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
7KK6
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BU of 7kk6 by Molmil
Structure of the catalytic domain of PARP1 in complex with veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK4
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BU of 7kk4 by Molmil
Structure of the catalytic domain of PARP1 in complex with olaparib
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK3
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BU of 7kk3 by Molmil
Structure of the catalytic domain of PARP1 in complex with talazoparib
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, Poly [ADP-ribose] polymerase 1
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7LMC
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BU of 7lmc by Molmil
Structure of SARS CoV-2 main protease shows simultaneous processing of its N- and C-terminii
Descriptor: 3C-like proteinase, Non-structural protein 4 peptide
Authors:Gajiwala, K.S, Ferre, R.A, Liu, W, Ryan, K.
Deposit date:2021-02-05
Release date:2021-04-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.977 Å)
Cite:SARS coronavirus-2 main protease dimer auto-processes N-terminus in cis and C-terminus in trans
To Be Published
7KKQ
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BU of 7kkq by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase, ZINC ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK2
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BU of 7kk2 by Molmil
Structure of the catalytic domain of PARP1
Descriptor: Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK5
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BU of 7kk5 by Molmil
Structure of the catalytic domain of PARP1 in complex with niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKP
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BU of 7kkp by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase, SULFATE ION, ...
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKM
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BU of 7kkm by Molmil
Structure of the catalytic domain of tankyrase 1
Descriptor: Poly [ADP-ribose] polymerase, ZINC ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKN
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BU of 7kkn by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with talazoparib
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Poly [ADP-ribose] polymerase, ...
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
1RKU
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BU of 1rku by Molmil
Crystal Structure of ThrH gene product of Pseudomonas Aeruginosa
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, homoserine kinase
Authors:Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H.
Deposit date:2003-11-23
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
1RKV
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BU of 1rkv by Molmil
Structure of Phosphate complex of ThrH from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H.
Deposit date:2003-11-23
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
4WCW
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BU of 4wcw by Molmil
Ribosomal silencing factor during starvation or stationary phase (RsfS) from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Ribosomal silencing factor RsfS
Authors:Li, X, Sun, Q, Jiang, C, Yang, K, Hung, L, Zhang, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome.
Structure, 23, 2015
4I23
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BU of 4i23 by Molmil
Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked)
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I21
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BU of 4i21 by Molmil
Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide
Descriptor: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I1Z
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BU of 4i1z by Molmil
Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M
Descriptor: Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I22
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BU of 4i22 by Molmil
Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib
Descriptor: Epidermal growth factor receptor, Gefitinib, SULFATE ION
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013

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