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1TAE
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BU of 1tae by Molmil
Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal
Descriptor: DNA ligase, NAD-dependent, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gajiwala, K.S, Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
4RDX
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BU of 4rdx by Molmil
Structure of histidinyl-tRNA synthetase in complex with tRNA(His)
Descriptor: ADENOSINE MONOPHOSPHATE, HISTIDINE, Histidine--tRNA ligase, ...
Authors:Xie, W, Tian, Q, Wang, C.
Deposit date:2014-09-20
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for recognition of G-1-containing tRNA by histidyl-tRNA synthetase
Nucleic Acids Res., 43, 2015
4C38
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BU of 4c38 by Molmil
PKA-S6K1 Chimera with compound 21e (CCT239066) bound
Descriptor: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
5UZK
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BU of 5uzk by Molmil
Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor
Descriptor: 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Jacobs, M.D, Brown, K.
Deposit date:2017-02-26
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
1V8L
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BU of 1v8l by Molmil
Structure Analysis of the ADP-ribose pyrophosphatase complexed with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-10
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8R
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BU of 1v8r by Molmil
Crystal structure analysis of the ADP-ribose pyrophosphatase complexed with ADP-ribose and Zn
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, ZINC ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-14
Release date:2005-02-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8Y
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BU of 1v8y by Molmil
Crystal structure analysis of the ADP-ribose pyrophosphatase of E86Q mutant, complexed with ADP-ribose and Zn
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, ZINC ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-15
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
2ZT6
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BU of 2zt6 by Molmil
Crystal structure of human Glycyl-tRNA synthetase (GlyRS) in complex with AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Glycyl-tRNA synthetase
Authors:Guo, R.T, Yang, X.L, Schimmel, P.
Deposit date:2008-09-19
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis
To be Published
4GR5
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BU of 4gr5 by Molmil
Crystal structure of SlgN1deltaAsub in complex with AMPcPP
Descriptor: CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, L(+)-TARTARIC ACID, ...
Authors:Herbst, D.A, Zocher, G, Stehle, T.
Deposit date:2012-08-24
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis of the Interaction of MbtH-like Proteins, Putative Regulators of Nonribosomal Peptide Biosynthesis, with Adenylating Enzymes.
J.Biol.Chem., 288, 2013
1V8T
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BU of 1v8t by Molmil
Crystal Structure analysis of the ADP-ribose pyrophosphatase complexed with ribose-5'-phosphate and Zn
Descriptor: ADP-ribose pyrophosphatase, RIBOSE-5-PHOSPHATE, ZINC ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-14
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8N
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BU of 1v8n by Molmil
Crystal structure analysis of the ADP-ribose pyrophosphatase complexed with Zn
Descriptor: ADP-ribose pyrophosphatase, ZINC ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-12
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8V
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BU of 1v8v by Molmil
Crystal structure analysis of the ADP-ribose pyrophosphatase of E86Q mutant, complexed with ADP-ribose and Mg
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, MAGNESIUM ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-15
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8U
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BU of 1v8u by Molmil
Crystal structure analysis of the ADP-ribose pyrophosphatase of E82Q mutant with SO4 and Mg
Descriptor: ADP-ribose pyrophosphatase, MAGNESIUM ION, SULFATE ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-15
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8M
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BU of 1v8m by Molmil
Crystal structure analysis of ADP-ribose pyrophosphatase complexed with ADP-ribose and Gd
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, GADOLINIUM ATOM
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-12
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8I
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BU of 1v8i by Molmil
Crystal Structure Analysis of the ADP-ribose pyrophosphatase
Descriptor: ADP-ribose pyrophosphatase
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-09
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
1V8W
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BU of 1v8w by Molmil
Crystal structure analysis of the ADP-ribose pyrophosphatase of E82Q mutant, complexed with SO4 and Zn
Descriptor: ADP-ribose pyrophosphatase, SULFATE ION, ZINC ION
Authors:Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-15
Release date:2004-10-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
J.Biol.Chem., 279, 2004
4C36
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BU of 4c36 by Molmil
PKA-S6K1 Chimera with compound 15e (CCT147581) bound
Descriptor: 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4C37
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BU of 4c37 by Molmil
PKA-S6K1 Chimera with compound 21a (CCT196539) bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
1TA8
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BU of 1ta8 by Molmil
Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, NAD-dependent, ...
Authors:Gajiwala, K.S, Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
2XJ0
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BU of 2xj0 by Molmil
Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen
Descriptor: (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1
Authors:Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XIZ
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BU of 2xiz by Molmil
Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen
Descriptor: (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1
Authors:Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XJ1
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BU of 2xj1 by Molmil
Protein kinase Pim-1 in complex with small molecule inibitor
Descriptor: (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
4ZCF
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BU of 4zcf by Molmil
Structural basis of asymmetric DNA methylation and ATP-triggered long-range diffusion by EcoP15I
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, DNA 20-mer AATCATAGTCTACTGCTGTA, ...
Authors:Gupta, Y.K, Chan, S.H, Xu, S.Y, Aggarwal, A.K.
Deposit date:2015-04-15
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of asymmetric DNA methylation and ATP-triggered long-range diffusion by EcoP15I.
Nat Commun, 6, 2015
7PQK
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BU of 7pqk by Molmil
Co-Crystal Structure of M. tuberculosis LeuRS in Complex with the Adduct Formed by Prodrug Cmpd1 with Adenosine-monophosphate
Descriptor: (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol, 1,2-ETHANEDIOL, Leucine--tRNA ligase
Authors:Palencia, A, Cusack, S.
Deposit date:2021-09-17
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Adenosine-Dependent Activation Mechanism of Prodrugs Targeting an Aminoacyl-tRNA Synthetase.
J.Am.Chem.Soc., 145, 2023
5KF4
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BU of 5kf4 by Molmil
Crystal structure of FN3 domain (Residues P368-P466) of Human collagen XX
Descriptor: Collagen alpha-1(XX) chain
Authors:Xie, Y, Cheng, Z, Zhao, J.
Deposit date:2016-06-12
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the second fibronectin type III (FN3) domain from human collagen alpha 1 type XX
Acta Crystallogr F Struct Biol Commun, 73, 2017

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數據於2024-09-04公開中

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