6D8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d8j by Molmil](/molmil-images/mine/6d8j) | |
6UMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umv by Molmil](/molmil-images/mine/6umv) | Human apo PD-1 double mutant | Descriptor: | CHLORIDE ION, Programmed cell death protein 1 | Authors: | Tang, S, Kim, P.S. | Deposit date: | 2019-10-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.424 Å) | Cite: | A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6UMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umt by Molmil](/molmil-images/mine/6umt) | High-affinity human PD-1 PD-L2 complex | Descriptor: | MAGNESIUM ION, Programmed cell death 1 ligand 2, Programmed cell death protein 1 | Authors: | Tang, S, Kim, P.S. | Deposit date: | 2019-10-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6UMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umu by Molmil](/molmil-images/mine/6umu) | Human apo PD-1 triple mutant | Descriptor: | CHLORIDE ION, Programmed cell death protein 1 | Authors: | Tang, S, Kim, P.S. | Deposit date: | 2019-10-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.183 Å) | Cite: | A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5FD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fd7 by Molmil](/molmil-images/mine/5fd7) | X-ray Crystal Structure of ESCRT-III Snf7 core domain (conformation A) | Descriptor: | Vacuolar-sorting protein SNF7 | Authors: | Tang, S, Henne, W.M, Borbat, P.P, Buchkovich, N.J, Freed, J.H, Mao, Y, Fromme, J.C, Emr, S.D. | Deposit date: | 2015-12-15 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for activation, assembly and membrane binding of ESCRT-III Snf7 filaments. Elife, 4, 2015
|
|
5FD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fd9 by Molmil](/molmil-images/mine/5fd9) | X-ray Crystal Structure of ESCRT-III Snf7 core domain (conformation B) | Descriptor: | Vacuolar-sorting protein SNF7 | Authors: | Tang, S, Henne, W.M, Borbat, P.P, Buchkovich, N.J, Freed, J.H, Mao, Y, Fromme, J.C, Emr, S.D. | Deposit date: | 2015-12-15 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for activation, assembly and membrane binding of ESCRT-III Snf7 filaments. Elife, 4, 2015
|
|
6CYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cyj by Molmil](/molmil-images/mine/6cyj) | Mycobacterium tuberculosis transcriptional regulator | Descriptor: | HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER, SUCCINYL-COENZYME A | Authors: | Tang, S, Sacchettini, J. | Deposit date: | 2018-04-05 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor. Nucleic Acids Res., 47, 2019
|
|
6CZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cz6 by Molmil](/molmil-images/mine/6cz6) | Mycobacterium tuberculosis transcriptional regulator | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | Authors: | Tang, S, Sacchettini, J. | Deposit date: | 2018-04-08 | Release date: | 2019-04-17 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor. Nucleic Acids Res., 47, 2019
|
|
6D2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d2s by Molmil](/molmil-images/mine/6d2s) | Mycobacterium tuberculosis transcriptional regulator | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tang, S, Sacchettini, J. | Deposit date: | 2018-04-13 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor. Nucleic Acids Res., 47, 2019
|
|
6CYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cyy by Molmil](/molmil-images/mine/6cyy) | Mycobacterium tuberculosis transcriptional regulator | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | Authors: | Tang, S, Sacchettini, J. | Deposit date: | 2018-04-07 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor. Nucleic Acids Res., 47, 2019
|
|
6D8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d8i by Molmil](/molmil-images/mine/6d8i) | |
7UX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ux0 by Molmil](/molmil-images/mine/7ux0) | Human Sperm TMEM95 Ectodomain | Descriptor: | Sperm-egg fusion protein TMEM95, TRIETHYLENE GLYCOL, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Tang, S, Kim, P.S. | Deposit date: | 2022-05-04 | Release date: | 2022-10-12 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Human sperm TMEM95 binds eggs and facilitates membrane fusion. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Q8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q8t by Molmil](/molmil-images/mine/7q8t) | Crystal structure of NAMPT bound to ligand TSY535(compound 9a) | Descriptor: | Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-11 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators. Acta Pharm Sin B, 13, 2023
|
|
7OEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oex by Molmil](/molmil-images/mine/7oex) | |
4YNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ync by Molmil](/molmil-images/mine/4ync) | OYE1 W116A COMPLEXED WITH (Z)-METHYL-3-CYANO-3-PHENYLACRYLATE IN A NON PRODUCTIVE BINDING MODE | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, ... | Authors: | Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W. | Deposit date: | 2015-03-09 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams Adv.Synth.Catal., 357, 2015
|
|
4YIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yil by Molmil](/molmil-images/mine/4yil) | OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE | Descriptor: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ... | Authors: | Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W. | Deposit date: | 2015-03-02 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.461 Å) | Cite: | Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams Adv.Synth.Catal., 357, 2015
|
|
8F3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f3a by Molmil](/molmil-images/mine/8f3a) | HIV-1 gp41 coiled-coil pocket IQN17 | Descriptor: | ACETIC ACID, CHLORIDE ION, IQN17 | Authors: | Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S. | Deposit date: | 2022-11-09 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies. J.Biol.Chem., 299, 2023
|
|
8F3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f3b by Molmil](/molmil-images/mine/8f3b) | |
6UX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ux6 by Molmil](/molmil-images/mine/6ux6) | Cruzain covalently bound by a vinylsulfone compound | Descriptor: | Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | Authors: | Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. | Deposit date: | 2019-11-06 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Cruzain covalently bound by a vinylsulfone compound To Be Published
|
|
1XMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xmf by Molmil](/molmil-images/mine/1xmf) | Structure of Mn(II)-Soaked Apo Methane Monooxygenase Hydroxylase Crystals from M. capsulatus (Bath) | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Methane monooxygenase component A alpha chain, ... | Authors: | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | Deposit date: | 2004-10-02 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) Biochemistry, 43, 2004
|
|
1XMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xmh by Molmil](/molmil-images/mine/1xmh) | Structure of Co(II) reconstituted methane monooxygenase hydroxylase from M. capsulatus (Bath) | Descriptor: | COBALT (II) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | Authors: | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | Deposit date: | 2004-10-02 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) Biochemistry, 43, 2004
|
|
1XMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xmg by Molmil](/molmil-images/mine/1xmg) | Crystal structure of apo methane monooxygenase hydroxylase from M. capsulatus (Bath) | Descriptor: | CALCIUM ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | Authors: | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | Deposit date: | 2004-10-02 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) Biochemistry, 43, 2004
|
|
6GG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gg8 by Molmil](/molmil-images/mine/6gg8) | Mineralocorticoid receptor in complex with (s)-13 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ... | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | Deposit date: | 2018-05-03 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
|
|
6GEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gev by Molmil](/molmil-images/mine/6gev) | Mineralocorticoid receptor in complex with (s)-13 | Descriptor: | 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | Deposit date: | 2018-04-27 | Release date: | 2019-01-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
|
|
6GGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ggg by Molmil](/molmil-images/mine/6ggg) | Mineralocorticoid receptor in complex with (s)-13 | Descriptor: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | Deposit date: | 2018-05-03 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
|
|