1ODX
 
 | | HIV-1 Proteinase mutant A71T, V82A | | Descriptor: | HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | Authors: | Kervinen, J, Thanki, N, Zdanov, A, Wlodawer, A. | | Deposit date: | 1996-09-16 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
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1UBG
 | | MsREcA-dATP complex | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, RecA | | Authors: | Datta, S, Krishna, R, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2003-04-04 | | Release date: | 2003-07-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal Structures of Mycobacterium smegmatis RecA and Its Nucleotide Complexes
J.BACTERIOL., 185, 2003
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3ATV
 | | Crystal structure of human Hsp70 NBD in the ADP-bound and Mg ion-free state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A/1B, ... | | Authors: | Arakawa, A, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-01-13 | | Release date: | 2011-12-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Biochemical and structural studies on the high affinity of Hsp70 for ADP.
Protein Sci., 20, 2011
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3ATU
 | | Crystal structure of human Hsp70 NBD in the ADP- and Mg ion-bound state | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A/1B, ... | | Authors: | Arakawa, A, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-01-13 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Biochemical and structural studies on the high affinity of Hsp70 for ADP.
Protein Sci., 20, 2011
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1UBE
 | | MsRecA-ADP Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RecA | | Authors: | Datta, S, Krishna, R, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2003-04-04 | | Release date: | 2003-07-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structures of Mycobacterium smegmatis RecA and Its Nucleotide Complexes
J.BACTERIOL., 185, 2003
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4C46
 | | ANDREI-N-LVPAS fused to GCN4 adaptors | | Descriptor: | BROMIDE ION, GENERAL CONTROL PROTEIN GCN4 | | Authors: | Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H. | | Deposit date: | 2013-08-30 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
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5YVB
 | | Structure of CaMKK2 in complex with CKI-011 | | Descriptor: | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5YV9
 | | Structure of CaMKK2 in complex with CKI-009 | | Descriptor: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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3B99
 | | Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605 | | Descriptor: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-11-03 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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1RHA
 | | WATER DEPENDENT DOMAIN MOTION AND FLEXIBILITY IN RIBONUCLEASE A AND THE INVARIANT FEATURES IN ITS HYDRATION SHELL. AN X-RAY STUDY OF TWO LOW HUMIDITY CRYSTAL FORMS OF THE ENZYME | | Descriptor: | RIBONUCLEASE A | | Authors: | Radha Kishan, K.V, Chandra, N.R, Sudarsanakumar, C, Suguna, K, Vijayan, M. | | Deposit date: | 1994-11-13 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water-dependent domain motion and flexibility in ribonuclease A and the invariant features in its hydration shell. An X-ray study of two low-humidity crystal forms of the enzyme.
Acta Crystallogr.,Sect.D, 51, 1995
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5YV8
 | | Structure of CaMKK2 in complex with CKI-002 | | Descriptor: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.927 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5ZQF
 | | Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA in space group P3221 | | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, DNA/RNA (5'-D(P*AP*GP*C)-R(P*(IU))-D(P*CP*GP*GP*C)-R(P*(IU))-3'), ... | | Authors: | Chen, S.F, Wang, Y.R, Chan, N.L. | | Deposit date: | 2018-04-18 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.873 Å) | | Cite: | Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate.
Nat Commun, 9, 2018
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1WP5
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5ZEN
 | | Crystal structure of human topoisomerase II beta in complex with DNA: a new quaternary conformation showing opening of the protein-linked DNA-gate | | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | | Authors: | Chen, S.F, Wang, Y.R, Chan, N.L. | | Deposit date: | 2018-02-27 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate.
Nat Commun, 9, 2018
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5YVA
 | | Structure of CaMKK2 in complex with CKI-010 | | Descriptor: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2.574 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5YVC
 | | Structure of CaMKK2 in complex with CKI-012 | | Descriptor: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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1RHB
 | | WATER DEPENDENT DOMAIN MOTION AND FLEXIBILITY IN RIBONUCLEASE A AND THE INVARIANT FEATURES IN ITS HYDRATION SHELL. AN X-RAY STUDY OF TWO LOW HUMIDITY CRYSTAL FORMS OF THE ENZYME | | Descriptor: | RIBONUCLEASE A | | Authors: | Radha Kishan, K.V, Chandra, N.R, Sudarsanakumar, C, Suguna, K, Vijayan, M. | | Deposit date: | 1994-11-13 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Water-dependent domain motion and flexibility in ribonuclease A and the invariant features in its hydration shell. An X-ray study of two low-humidity crystal forms of the enzyme.
Acta Crystallogr.,Sect.D, 51, 1995
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3AY9
 | | Crystal structure of human Hsp70 NBD in the ADP-, Mg ion-, and K ion-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Arakawa, A, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-05-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical and structural studies on the high affinity of Hsp70 for ADP.
Protein Sci., 20, 2011
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3B6H
 | | Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil | | Descriptor: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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4Q26
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3QX3
 | | Human topoisomerase IIbeta in complex with DNA and etoposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Wu, C.C, Li, T.K, Farh, L, Lin, L.Y, Lin, T.S, Yu, Y.J, Yen, T.J, Chiang, C.W, Chan, N.L. | | Deposit date: | 2011-03-01 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide
Science, 333, 2011
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2H5X
 | | RuvA from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Alipio, E.Z, Kim, C.Y, Waldo, G.S, Terwilliger, T.C, Segelke, B, Lekin, T, Toppani, D, Hung, L.W, Yu, M, Bursey, E, Muniyappa, K, Chandra, N.R, Vijayan, M. | | Deposit date: | 2006-05-28 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of Mycobacterium tuberculosis RuvA, a protein involved in recombination.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
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4Q1P
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4Q1R
 | | Galectin-1 in Complex with Ligand AN027 | | Descriptor: | Galectin-1, SULFATE ION, propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside | | Authors: | Grimm, C, Bertleff-Zieschang, N. | | Deposit date: | 2014-04-04 | | Release date: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Galectin-1 in Complex with Ligand AN027
To be Published
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1VF8
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